7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate;6-isocyano-3-methyl-N,5-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxamide

C71H74ClN15O7S — CID 54210819

IUPAC7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate;6-isocyano-3-methyl-N,5-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxamide
SMILESCCOC(=O)c1c(C)c(Cl)n2c(CCNC(=O)C(CC)Oc3ccc(C)cc3C)n[nH]c12.[C-]#[N+]c1c(C(=O)Nc2ccccc2)c2[nH]nc(C)n2c1-c1ccccc1.[C-]#[N+]c1cn2c(-c3cccc(NS(=O)Oc4cc(C(C)(C)CC(C)(C)C)ccc4C)c3)n[nH]c2c1C#N
InChIInChI=1S/C28H30N6O2S.C23H29ClN4O4.C20H15N5O/c1-18-11-12-20(28(5,6)17-27(2,3)4)14-24(18)36-37(35)33-21-10-8-9-19(13-21)25-31-32-26-22(15-29)23(30-7)16-34(25)26;1-6-16(32-17-9-8-13(3)12-14(17)4)22(29)25-11-10-18-26-27-21-19(23(30)31-7-2)15(5)20(24)28(18)21;1-13-23-24-19-16(20(26)22-15-11-7-4-8-12-15)17(21-2)18(25(13)19)14-9-5-3-6-10-14/h8-14,16,32-33H,17H2,1-6H3;8-9,12,16,27H,6-7,10-11H2,1-5H3,(H,25,29);3-12,24H,1H3,(H,22,26)
InChIKeyPVUYLGVYAZJDTA-UHFFFAOYSA-N
MW1316.99 g/mol
LogP15.22
Rot. Bonds19

About 7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate;6-isocyano-3-methyl-N,5-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxamide

7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate;6-isocyano-3-methyl-N,5-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxamide (PubChem CID 54210819) has the molecular formula C71H74ClN15O7S and a molecular weight of 1316.99 g/mol. Its IUPAC name is 7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate;6-isocyano-3-methyl-N,5-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxamide.

Molecular Properties

Compound Name7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate;6-isocyano-3-methyl-N,5-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxamide
PubChem CID54210819
Molecular FormulaC71H74ClN15O7S
Molecular Weight1316.99 g/mol
Exact Mass1315.53
IUPAC Name7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate;6-isocyano-3-methyl-N,5-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxamide
SMILESCCOC(=O)c1c(C)c(Cl)n2c(CCNC(=O)C(CC)Oc3ccc(C)cc3C)n[nH]c12.[C-]#[N+]c1c(C(=O)Nc2ccccc2)c2[nH]nc(C)n2c1-c1ccccc1.[C-]#[N+]c1cn2c(-c3cccc(NS(=O)Oc4cc(C(C)(C)CC(C)(C)C)ccc4C)c3)n[nH]c2c1C#N
InChIInChI=1S/C28H30N6O2S.C23H29ClN4O4.C20H15N5O/c1-18-11-12-20(28(5,6)17-27(2,3)4)14-24(18)36-37(35)33-21-10-8-9-19(13-21)25-31-32-26-22(15-29)23(30-7)16-34(25)26;1-6-16(32-17-9-8-13(3)12-14(17)4)22(29)25-11-10-18-26-27-21-19(23(30)31-7-2)15(5)20(24)28(18)21;1-13-23-24-19-16(20(26)22-15-11-7-4-8-12-15)17(21-2)18(25(13)19)14-9-5-3-6-10-14/h8-14,16,32-33H,17H2,1-6H3;8-9,12,16,27H,6-7,10-11H2,1-5H3,(H,25,29);3-12,24H,1H3,(H,22,26)
InChIKeyPVUYLGVYAZJDTA-UHFFFAOYSA-N
XLogP15.22
TPSA263.84 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001316.99
LogP ≤ 515.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate;6-isocyano-3-methyl-N,5-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxamide with MolForge

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Related Compounds

[6-(benzenesulfinyloxy)-2-methyl-5-(trifluoromethyl)-3H-pyrrolo[1,2-b][1,2,4]triazol-7-yl] benzoate;7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate
CID 54065627
7-cyano-5,6-diisocyano-3-[3-[[2-methyl-5-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;[7-cyano-3-[3-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-6-phenylsulfinamoyloxy-1H-pyrrolo[2,1-c][1,2,4]triazol-5-yl] benzoate;(7-ethyl-2-methyldecan-4-yl) 2-(2-butoxyphenyl)-5-(diethylcarbamoyloxy)-6-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;1-[2-[5-isocyano-7-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propyl]-3-(2-methylphenyl)urea
CID 54480085
tert-butyl 3-[3-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-2-phenyl-6-(trifluoromethyl)-1H-pyrrolo[1,2-a]imidazole-7-carboxylate;2-(2-chloro-4-methylphenoxy)-N-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)dodecanamide;N-[3-(6-cyano-3-methyl-2,4-dioxo-1H-pyrrolo[1,2-a][1,3,5]triazin-7-yl)phenyl]-2-(2,4-dimethylphenoxy)butanamide;2-hexyldecyl 6-isocyano-2,3-diphenyl-1H-pyrrolo[1,2-a]imidazole-7-carboxylate;3-methyl-2-(4-methylphenyl)-4-oxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile
CID 56638947
N-[3-[5-benzoyl-7-cyano-6-(phenylsulfamoyl)-1H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide;7-chloro-3-[3-[[5-[(2,5-dimethylphenoxy)sulfinylamino]-2-methylphenoxy]sulfinylamino]phenyl]-5,6-diisocyano-1H-pyrrolo[2,1-c][1,2,4]triazole;7-cyano-3-[3-[(2,5-dimethylphenoxy)sulfinylamino]phenyl]-6-isocyano-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate
CID 53711918
(2,4,6-trimethylcyclohexyl) 2-[3-[2-(2,4-dimethylphenoxy)octanoylamino]phenyl]-6-isocyano-5-(naphthalene-1-carbonyloxy)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2,5-dimethylphenoxy)sulfinylamino]phenyl]-5-(2-methoxybenzoyl)oxy-6-methyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-(2,4-dimethylphenyl)-6-isocyano-5-(4-methylbenzoyl)oxy-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-ethyl-6-isocyano-5-(3-methylpyridine-4-carbonyl)oxy-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate
CID 53795231
(4-butyl-2,6-dimethylcyclohexyl) 6-isocyano-5-[methyl(phenyl)carbamoyl]oxy-2-propan-2-yl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,6-dimethylcyclohexyl) 5-(diethylcarbamoyloxy)-2-[5-[2-(2,4-dimethylphenoxy)butanoylamino]-2-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;[6-isocyano-2-(4-methylphenyl)-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;(1,2,2,6,6-pentamethylcyclohexyl) 5-[bis(prop-2-enyl)carbamoyloxy]-2-butan-2-yl-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 5-benzoyloxy-6-isocyano-2-methyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate
CID 53801224
N-[2-(5-chloro-7-cyano-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)propyl]-2-(2,4-dimethylphenoxy)butanamide;methyl 5-chloro-2-[3-[[5-[(2,5-dimethylphenoxy)sulfinylamino]-2-methylphenoxy]sulfinylamino]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate
CID 53820181
7-chloro-3-[3-[[5-[(2,5-dimethylphenyl)methyl]-2-methylphenyl]methyl]phenyl]-5,6-diisocyano-1H-pyrrolo[2,1-c][1,2,4]triazole;5-chloro-3-[3-[(2,5-dimethylphenyl)methyl]phenyl]-6-isocyano-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carbonitrile;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate
CID 53890982
6-benzyl-5-chloro-2-[3-[(2,5-dimethylphenoxy)sulfinylamino]phenyl]-7-methyl-1H-pyrrolo[1,2-a]imidazole;[7-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-2-[3-[(2,5-dimethylphenoxy)sulfinylamino]phenyl]-6-isocyano-1H-pyrrolo[1,2-a]imidazol-5-yl] morpholine-4-carboxylate
CID 54370720
[2-butan-2-yl-7-[hydroperoxy-(1,2,2,6,6-pentamethylcyclohexyl)methyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] N,N-bis(prop-2-enyl)carbamate;[7-[(2,6-dimethylcyclohexyl)-hydroperoxymethyl]-2-[3-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] N,N-diethylcarbamate;[7-[hydroperoxy-(2,4,6-trimethylcyclohexyl)methyl]-6-isocyano-2-methyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] benzoate;[6-isocyano-2-(4-methylphenyl)-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate
CID 54537770
2-[2-[[4-tert-butyl-2-[5-[6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylphenyl]sulfinamoyloxyphenoxy]carbonylamino]phenoxy]decanoic acid;carbon monoxide;(2,6-dimethylcyclohexyl) 5-chloro-6-isocyano-2-[2-[[2-(octylsulfonylcarbamoyl)phenyl]carbamoyl]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;2-[2-[5-[6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylanilino]-4-methylphenoxy]decanoic acid;(2,4,6-trimethylcyclohexyl) 2-[3-[(2,5-dimethylphenoxy)sulfinylamino]-4-methylphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate
CID 90864769
N-[2-(5-chloro-7-cyano-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)propyl]-2-(2,4-dimethylphenoxy)butanamide;[6-isocyano-2-phenyl-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate
CID 90968996

Frequently Asked Questions

What is the IUPAC name of 7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate;6-isocyano-3-methyl-N,5-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxamide?
The IUPAC name of 7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate;6-isocyano-3-methyl-N,5-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxamide (CID 54210819) is 7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate;6-isocyano-3-methyl-N,5-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxamide.
What is the SMILES notation for 7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate;6-isocyano-3-methyl-N,5-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxamide?
The canonical SMILES for 7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate;6-isocyano-3-methyl-N,5-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxamide is CCOC(=O)c1c(C)c(Cl)n2c(CCNC(=O)C(CC)Oc3ccc(C)cc3C)n[nH]c12.[C-]#[N+]c1c(C(=O)Nc2ccccc2)c2[nH]nc(C)n2c1-c1ccccc1.[C-]#[N+]c1cn2c(-c3cccc(NS(=O)Oc4cc(C(C)(C)CC(C)(C)C)ccc4C)c3)n[nH]c2c1C#N.
What is the InChIKey of 7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate;6-isocyano-3-methyl-N,5-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxamide?
The InChIKey is PVUYLGVYAZJDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2S.C23H29ClN4O4.C20H15N5O/c1-18-11-12-20(28(5,6)17-27(2,3)4)14-24(18)36-37(35)33-21-10-8-9-19(13-21)25-31-32-26-22(15-29)23(30-7)16-34(25)26;1-6-16(32-17-9-8-13(3)12-14(17)4)22(29)25-11-10-18-26-27-21-19(23(30)31-7-2)15(5)20(24)28(18)21;1-13-23-24-19-16(20(26)22-15-11-7-4-8-12-15)17(21-2)18(25(13)19)14-9-5-3-6-10-14/h8-14,16,32-33H,17H2,1-6H3;8-9,12,16,27H,6-7,10-11H2,1-5H3,(H,25,29);3-12,24H,1H3,(H,22,26).
What are the key properties of 7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate;6-isocyano-3-methyl-N,5-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxamide?
7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate;6-isocyano-3-methyl-N,5-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxamide has a molecular weight of 1316.99 g/mol, XLogP of 15.22, 19 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-6-isocyano-3-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-1H-pyrrolo[2,1-c][1,2,4]triazole;ethyl 5-chloro-3-[2-[2-(2,4-dimethylphenoxy)butanoylamino]ethyl]-6-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylate;6-isocyano-3-methyl-N,5-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxamide is sourced from PubChem (CID 54210819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).