5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline

C130H101F6N39O11S7 — CID 158630806

IUPAC5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline
SMILESC1=Cc2cc(-c3ccc(-c4nc(SCC5=NN=CC5)n[nH]4)o3)ccc2C1.C1=NN=C(CSc2n[nH]c(-c3ccc(-c4ccc5cc[nH]c5c4)o3)n2)C1.C1=NN=C(CSc2n[nH]c(-c3ccc(-c4cccc5cccnc45)o3)n2)C1.COc1cc(-c2ccc(-c3nc(SCC4=NN=CC4)n[nH]3)o2)cc(C(F)(F)F)c1.COc1ccc(C(F)(F)F)cc1-c1ccc(-c2nc(SCC3=NN=CC3)n[nH]2)o1.COc1ccc2cc(-c3ccc(-c4nc(SCC5=NN=CC5)n[nH]4)o3)ccc2c1.O=c1[nH]c2ccc(-c3ccc(-c4nc(SCC5=NN=CC5)n[nH]4)o3)cc2[nH]1
InChIInChI=1S/C21H17N5O2S.C19H14N6OS.C19H15N5OS.2C18H14F3N5O2S.C18H14N6OS.C17H13N7O2S/c1-27-17-5-4-13-10-15(3-2-14(13)11-17)18-6-7-19(28-18)20-23-21(26-25-20)29-12-16-8-9-22-24-16;1-3-12-4-2-9-20-17(12)14(5-1)15-6-7-16(26-15)18-22-19(25-24-18)27-11-13-8-10-21-23-13;1-2-12-4-5-14(10-13(12)3-1)16-6-7-17(25-16)18-21-19(24-23-18)26-11-15-8-9-20-22-15;1-27-13-7-10(6-11(8-13)18(19,20)21)14-2-3-15(28-14)16-23-17(26-25-16)29-9-12-4-5-22-24-12;1-27-13-3-2-10(18(19,20)21)8-12(13)14-4-5-15(28-14)16-23-17(26-25-16)29-9-11-6-7-22-24-11;1-2-12(9-14-11(1)5-7-19-14)15-3-4-16(25-15)17-21-18(24-23-17)26-10-13-6-8-20-22-13;25-16-19-11-2-1-9(7-12(11)20-16)13-3-4-14(26-13)15-21-17(24-23-15)27-8-10-5-6-18-22-10/h2-7,9-11H,8,12H2,1H3,(H,23,25,26);1-7,9-10H,8,11H2,(H,22,24,25);1,3-7,9-10H,2,8,11H2,(H,21,23,24);2-3,5-8H,4,9H2,1H3,(H,23,25,26);2-5,7-8H,6,9H2,1H3,(H,23,25,26);1-5,7-9,19H,6,10H2,(H,21,23,24);1-4,6-7H,5,8H2,(H2,19,20,25)(H,21,23,24)
InChIKeyHZEBKOQXYNYKHN-UHFFFAOYSA-N
MW2723.96 g/mol
LogP29.57
Rot. Bonds38

About 5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline

5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline (PubChem CID 158630806) has the molecular formula C130H101F6N39O11S7 and a molecular weight of 2723.96 g/mol. Its IUPAC name is 5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline.

Molecular Properties

Compound Name5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline
PubChem CID158630806
Molecular FormulaC130H101F6N39O11S7
Molecular Weight2723.96 g/mol
Exact Mass2721.65
IUPAC Name5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline
SMILESC1=Cc2cc(-c3ccc(-c4nc(SCC5=NN=CC5)n[nH]4)o3)ccc2C1.C1=NN=C(CSc2n[nH]c(-c3ccc(-c4ccc5cc[nH]c5c4)o3)n2)C1.C1=NN=C(CSc2n[nH]c(-c3ccc(-c4cccc5cccnc45)o3)n2)C1.COc1cc(-c2ccc(-c3nc(SCC4=NN=CC4)n[nH]3)o2)cc(C(F)(F)F)c1.COc1ccc(C(F)(F)F)cc1-c1ccc(-c2nc(SCC3=NN=CC3)n[nH]2)o1.COc1ccc2cc(-c3ccc(-c4nc(SCC5=NN=CC5)n[nH]4)o3)ccc2c1.O=c1[nH]c2ccc(-c3ccc(-c4nc(SCC5=NN=CC5)n[nH]4)o3)cc2[nH]1
InChIInChI=1S/C21H17N5O2S.C19H14N6OS.C19H15N5OS.2C18H14F3N5O2S.C18H14N6OS.C17H13N7O2S/c1-27-17-5-4-13-10-15(3-2-14(13)11-17)18-6-7-19(28-18)20-23-21(26-25-20)29-12-16-8-9-22-24-16;1-3-12-4-2-9-20-17(12)14(5-1)15-6-7-16(26-15)18-22-19(25-24-18)27-11-13-8-10-21-23-13;1-2-12-4-5-14(10-13(12)3-1)16-6-7-17(25-16)18-21-19(24-23-18)26-11-15-8-9-20-22-15;1-27-13-7-10(6-11(8-13)18(19,20)21)14-2-3-15(28-14)16-23-17(26-25-16)29-9-12-4-5-22-24-12;1-27-13-3-2-10(18(19,20)21)8-12(13)14-4-5-15(28-14)16-23-17(26-25-16)29-9-11-6-7-22-24-11;1-2-12(9-14-11(1)5-7-19-14)15-3-4-16(25-15)17-21-18(24-23-17)26-10-13-6-8-20-22-13;25-16-19-11-2-1-9(7-12(11)20-16)13-3-4-14(26-13)15-21-17(24-23-15)27-8-10-5-6-18-22-10/h2-7,9-11H,8,12H2,1H3,(H,23,25,26);1-7,9-10H,8,11H2,(H,22,24,25);1,3-7,9-10H,2,8,11H2,(H,21,23,24);2-3,5-8H,4,9H2,1H3,(H,23,25,26);2-5,7-8H,6,9H2,1H3,(H,23,25,26);1-5,7-9,19H,6,10H2,(H,21,23,24);1-4,6-7H,5,8H2,(H2,19,20,25)(H,21,23,24)
InChIKeyHZEBKOQXYNYKHN-UHFFFAOYSA-N
XLogP29.57
TPSA661.03 Ų
H-Bond Donors10
H-Bond Acceptors47
Rotatable Bonds38
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002723.96
LogP ≤ 529.57
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1047

Analyze 5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline with MolForge

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Launch Full Analysis

Related Compounds

N'-amino-2-[[5-[5-(1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanimidamide;N,N'-diamino-2-[[5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanimidamide;ethane
CID 144951467
5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]-1,3-thiazolidine-2,4-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[7-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 158916357
5-[[5-[3-(3-chloro-5-methoxyphenyl)-5-nitrophenyl]-4H-pyrazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole;5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole
CID 161273886
3-[[5-[5-[3-[[3-(difluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;2-methoxy-5-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzaldehyde;1-[[5-[5-(1-methylindol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;2-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole-5-carbonitrile;3-[[5-(5-quinolin-3-ylfuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol
CID 160239489
3-[[5-[5-(1,2-dimethylindol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;ethyl 4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzoate;1-[[5-[5-(1H-indol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[4-methoxy-3-[(E)-methoxyiminomethyl]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;6-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-3,4-dihydro-1H-naphthalen-2-one;1-[[5-(5-phenylfuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
CID 172958024

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline?
The IUPAC name of 5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline (CID 158630806) is 5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline.
What is the SMILES notation for 5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline?
The canonical SMILES for 5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline is C1=Cc2cc(-c3ccc(-c4nc(SCC5=NN=CC5)n[nH]4)o3)ccc2C1.C1=NN=C(CSc2n[nH]c(-c3ccc(-c4ccc5cc[nH]c5c4)o3)n2)C1.C1=NN=C(CSc2n[nH]c(-c3ccc(-c4cccc5cccnc45)o3)n2)C1.COc1cc(-c2ccc(-c3nc(SCC4=NN=CC4)n[nH]3)o2)cc(C(F)(F)F)c1.COc1ccc(C(F)(F)F)cc1-c1ccc(-c2nc(SCC3=NN=CC3)n[nH]2)o1.COc1ccc2cc(-c3ccc(-c4nc(SCC5=NN=CC5)n[nH]4)o3)ccc2c1.O=c1[nH]c2ccc(-c3ccc(-c4nc(SCC5=NN=CC5)n[nH]4)o3)cc2[nH]1.
What is the InChIKey of 5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline?
The InChIKey is HZEBKOQXYNYKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S.C19H14N6OS.C19H15N5OS.2C18H14F3N5O2S.C18H14N6OS.C17H13N7O2S/c1-27-17-5-4-13-10-15(3-2-14(13)11-17)18-6-7-19(28-18)20-23-21(26-25-20)29-12-16-8-9-22-24-16;1-3-12-4-2-9-20-17(12)14(5-1)15-6-7-16(26-15)18-22-19(25-24-18)27-11-13-8-10-21-23-13;1-2-12-4-5-14(10-13(12)3-1)16-6-7-17(25-16)18-21-19(24-23-18)26-11-15-8-9-20-22-15;1-27-13-7-10(6-11(8-13)18(19,20)21)14-2-3-15(28-14)16-23-17(26-25-16)29-9-12-4-5-22-24-12;1-27-13-3-2-10(18(19,20)21)8-12(13)14-4-5-15(28-14)16-23-17(26-25-16)29-9-11-6-7-22-24-11;1-2-12(9-14-11(1)5-7-19-14)15-3-4-16(25-15)17-21-18(24-23-17)26-10-13-6-8-20-22-13;25-16-19-11-2-1-9(7-12(11)20-16)13-3-4-14(26-13)15-21-17(24-23-15)27-8-10-5-6-18-22-10/h2-7,9-11H,8,12H2,1H3,(H,23,25,26);1-7,9-10H,8,11H2,(H,22,24,25);1,3-7,9-10H,2,8,11H2,(H,21,23,24);2-3,5-8H,4,9H2,1H3,(H,23,25,26);2-5,7-8H,6,9H2,1H3,(H,23,25,26);1-5,7-9,19H,6,10H2,(H,21,23,24);1-4,6-7H,5,8H2,(H2,19,20,25)(H,21,23,24).
What are the key properties of 5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline?
5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline has a molecular weight of 2723.96 g/mol, XLogP of 29.57, 38 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline is sourced from PubChem (CID 158630806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).