2-(4-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide

Systemtic Name: 2-(4-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide Openeye Name: 2-(m-tolylmethylsulfanyl)-N-phenethyl-2-(p-tolyl)-N-(1H-1,2,4-triazol-5-yl)propanamide CAS Name: 2-(4-methylphenyl)-2-[(3-methylphenyl)methylthio]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide IUPAC Name: 2-(4-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide Traditional Name: 2-[(3-methylbenzyl)thio]-N-phenethyl-2-(p-tolyl)-N-(1H-1,2,4-triazol-5-yl)propionamide Formula: C28H30N4OS MolecularWeight: 470.629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)(C(=O)N(CCC2=CC=CC=C2)C3=NC=NN3)SCC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(C)(C(=O)N(CCC2=CC=CC=C2)C3=NC=NN3)SCC4=CC=CC(=C4)C

InChI

InChI=1S/C28H30N4OS/c1-21-12-14-25(15-13-21)28(3,34-19-24-11-7-8-22(2)18-24)26(33)32(27-29-20-30-31-27)17-16-23-9-5-4-6-10-23/h4-15,18,20H,16-17,19H2,1-3H3,(H,29,30,31)