N-(4-acetamidophenyl)-2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetamide CAS Name: N-(4-acetamidophenyl)-2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(4-acetamidophenyl)-2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]acetamide Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C19H20N6O2S/c1-13(26)21-15-7-9-16(10-8-15)22-17(27)11-25-18(20)23-24-19(25)28-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,20,23)(H,21,26)(H,22,27)