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

Systemtic Name: 1-(4-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: 1-(4-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-(p-tolyl)propan-1-one Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=CN2C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=CN2C

InChI

InChI=1S/C13H15N3OS/c1-9-4-6-11(7-5-9)12(17)10(2)18-13-15-14-8-16(13)3/h4-8,10H,1-3H3