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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(p-tolyl)ethanone Formula: C11H12N4OS MolecularWeight: 248.30418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C11H12N4OS/c1-7-2-4-8(5-3-7)9(16)6-17-11-13-10(12)14-15-11/h2-5H,6H2,1H3,(H3,12,13,14,15)