(2R)-2-[[4-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)propanamide

Systemtic Name: (2R)-2-[[4-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)propanamide Openeye Name: (2R)-2-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide CAS Name: (2R)-2-[[4-amino-5-(phenylmethylthio)-1,2,4-triazol-3-yl]thio]-N-(2,4-dimethylphenyl)propanamide IUPAC Name: (2R)-2-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide Traditional Name: (2R)-2-[[4-amino-5-(benzylthio)-1,2,4-triazol-3-yl]thio]-N-(2,4-dimethylphenyl)propionamide Formula: C20H23N5OS2 MolecularWeight: 413.55952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NN=C(N2N)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@@H](C)SC2=NN=C(N2N)SCC3=CC=CC=C3)C

InChI

InChI=1S/C20H23N5OS2/c1-13-9-10-17(14(2)11-13)22-18(26)15(3)28-20-24-23-19(25(20)21)27-12-16-7-5-4-6-8-16/h4-11,15H,12,21H2,1-3H3,(H,22,26)/t15-/m1/s1