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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

InChI

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