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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C)CCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C)CCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4OS/c1-21-11-13-25(14-12-21)32-26(15-16-27(33)29-18-17-23-8-4-3-5-9-23)30-31-28(32)34-20-24-10-6-7-22(2)19-24/h3-14,19H,15-18,20H2,1-2H3,(H,29,33)