(R)-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-phenylmethanol

C22H19N3OS — CID 1238928

IUPAC(R)-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-phenylmethanol
SMILESO[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C22H19N3OS/c26-20(18-12-6-2-7-13-18)21-23-24-22(25(21)19-14-8-3-9-15-19)27-16-17-10-4-1-5-11-17/h1-15,20,26H,16H2/t20-/m1/s1
InChIKeyGKSPPTJWUTZBKR-HXUWFJFHSA-N
MW373.48 g/mol
LogP4.64
Rot. Bonds6

About (R)-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-phenylmethanol

(R)-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-phenylmethanol (PubChem CID 1238928) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is (R)-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-phenylmethanol.

Molecular Properties

Compound Name(R)-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-phenylmethanol
PubChem CID1238928
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name(R)-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-phenylmethanol
SMILESO[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C22H19N3OS/c26-20(18-12-6-2-7-13-18)21-23-24-22(25(21)19-14-8-3-9-15-19)27-16-17-10-4-1-5-11-17/h1-15,20,26H,16H2/t20-/m1/s1
InChIKeyGKSPPTJWUTZBKR-HXUWFJFHSA-N
XLogP4.64
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-phenylmethanol
CID 1273435
(R)-[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-phenylmethanol
CID 1273436
(S)-[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-phenylmethanol
CID 1321333
3-benzylsulfanyl-4-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-triazole
CID 24718777
(1S,2S)-1,2-bis[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]ethane-1,2-diol
CID 99668474
(1S,2R)-1,2-bis[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]ethane-1,2-diol
CID 99668472
(R)-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol
CID 7380461
3-benzylsulfanyl-5-(2-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 2223427
4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine
CID 758286
2-[[5-[(S)-hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 2216470
3-benzylsulfanyl-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 2358983
3-benzylsulfanyl-5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazole
CID 18284726

Frequently Asked Questions

What is the IUPAC name of (R)-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-phenylmethanol?
The IUPAC name of (R)-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-phenylmethanol (CID 1238928) is (R)-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-phenylmethanol.
What is the SMILES notation for (R)-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-phenylmethanol?
The canonical SMILES for (R)-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-phenylmethanol is O[C@H](c1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccccc1.
What is the InChIKey of (R)-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-phenylmethanol?
The InChIKey is GKSPPTJWUTZBKR-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19N3OS/c26-20(18-12-6-2-7-13-18)21-23-24-22(25(21)19-14-8-3-9-15-19)27-16-17-10-4-1-5-11-17/h1-15,20,26H,16H2/t20-/m1/s1.
What are the key properties of (R)-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-phenylmethanol?
(R)-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-phenylmethanol has a molecular weight of 373.48 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-phenylmethanol is sourced from PubChem (CID 1238928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).