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

Systemtic Name: 3-[4-(4-chlorophenyl)-5-[(3,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-phenethyl-propanamide Openeye Name: 3-[4-(4-chlorophenyl)-5-[(3,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-phenethyl-propanamide CAS Name: 3-[4-(4-chlorophenyl)-5-[(3,5-dimethylphenyl)methylthio]-1,2,4-triazol-3-yl]-N-phenethylpropanamide IUPAC Name: 3-[4-(4-chlorophenyl)-5-[(3,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-phenethylpropanamide Traditional Name: 3-[4-(4-chlorophenyl)-5-[(3,5-dimethylbenzyl)thio]-1,2,4-triazol-3-yl]-N-phenethyl-propionamide Formula: C28H29ClN4OS MolecularWeight: 505.07406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CCC(=O)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CCC(=O)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C28H29ClN4OS/c1-20-16-21(2)18-23(17-20)19-35-28-32-31-26(33(28)25-10-8-24(29)9-11-25)12-13-27(34)30-15-14-22-6-4-3-5-7-22/h3-11,16-18H,12-15,19H2,1-2H3,(H,30,34)