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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NNC(=N2)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)SC2=NNC(=N2)N

InChI

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