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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSC2=NNC(=N2)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSC2=NNC(=N2)N

InChI

InChI=1S/C13H17N5OS/c1-9-4-2-5-10(8-9)15-11(19)6-3-7-20-13-16-12(14)17-18-13/h2,4-5,8H,3,6-7H2,1H3,(H,15,19)(H3,14,16,17,18)