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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(o-tolyl)ethyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[1-(2-methylphenyl)ethyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[1-(o-tolyl)ethyl]acetamide Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC1=CC=CC=C1C(C)NC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C13H17N5OS/c1-8-5-3-4-6-10(8)9(2)15-11(19)7-20-13-16-12(14)17-18-13/h3-6,9H,7H2,1-2H3,(H,15,19)(H3,14,16,17,18)