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

Systemtic Name: 2-[[4-ethyl-5-[[(4-methylphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-ethyl-5-(p-toluidinomethyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC3=CC=C(C=C3)C

InChI

InChI=1S/C20H22N4OS/c1-3-24-19(13-21-17-11-9-15(2)10-12-17)22-23-20(24)26-14-18(25)16-7-5-4-6-8-16/h4-12,21H,3,13-14H2,1-2H3