2-[3-[[(4-chlorophenyl)amino]methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[3-[[(4-chlorophenyl)amino]methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[3-[(4-chloroanilino)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-1-(p-tolyl)ethanone CAS Name: 2-[3-[(4-chloroanilino)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[3-[(4-chloroanilino)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[3-[(4-chloroanilino)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-1-(p-tolyl)ethanone Formula: C24H21ClN4OS MolecularWeight: 448.96774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C(=S)N(C(=N2)CNC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C(=S)N(C(=N2)CNC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H21ClN4OS/c1-17-7-9-18(10-8-17)22(30)16-28-24(31)29(21-5-3-2-4-6-21)23(27-28)15-26-20-13-11-19(25)12-14-20/h2-14,26H,15-16H2,1H3