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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(o-tolyl)acetamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(2-methylphenyl)acetamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(o-tolyl)acetamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C18H19N5OS/c1-13-7-5-6-10-15(13)20-16(24)11-23-17(19)21-22-18(23)25-12-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H2,19,21)(H,20,24)