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

Systemtic Name: 2-[[5-[[(4-methylphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 1-phenyl-2-[[4-phenyl-5-(p-toluidinomethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C24H22N4OS MolecularWeight: 414.52268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H22N4OS/c1-18-12-14-20(15-13-18)25-16-23-26-27-24(28(23)21-10-6-3-7-11-21)30-17-22(29)19-8-4-2-5-9-19/h2-15,25H,16-17H2,1H3