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

Systemtic Name: 1-(4-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(p-tolyl)ethanone CAS Name: 1-(4-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-(p-tolyl)ethanone Formula: C17H15N3OS MolecularWeight: 309.3855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3OS/c1-12-7-9-13(10-8-12)15(21)11-22-17-18-16(19-20-17)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,19,20)