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

Systemtic Name: 2-[(5-azanyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)thio]-1-(p-tolyl)ethanone Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)N

InChI

InChI=1S/C12H14N4OS/c1-8-3-5-9(6-4-8)10(17)7-18-12-15-14-11(13)16(12)2/h3-6H,7H2,1-2H3,(H2,13,14)