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

Systemtic Name: 2-[[4-methyl-5-[[(4-methylphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-methyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-methyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-methyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-methyl-5-(p-toluidinomethyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2=NN=C(N2C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=NN=C(N2C)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4OS/c1-14-8-10-16(11-9-14)20-12-18-21-22-19(23(18)2)25-13-17(24)15-6-4-3-5-7-15/h3-11,20H,12-13H2,1-2H3