4-(3-chlorophenyl)-N-phenethyl-5-(phenylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide

Systemtic Name: 4-(3-chlorophenyl)-N-phenethyl-5-(phenylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: 5-benzylsulfanyl-4-(3-chlorophenyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 4-(3-chlorophenyl)-N-phenethyl-5-(phenylmethylthio)-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 5-benzylsulfanyl-4-(3-chlorophenyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 5-(benzylthio)-4-(3-chlorophenyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C28H29ClN4OS MolecularWeight: 505.07406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(C2=NC=NN2)C(=O)CCC(CSCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN(C2=NC=NN2)C(=O)CCC(CSCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H29ClN4OS/c29-26-13-7-12-24(18-26)25(20-35-19-23-10-5-2-6-11-23)14-15-27(34)33(28-30-21-31-32-28)17-16-22-8-3-1-4-9-22/h1-13,18,21,25H,14-17,19-20H2,(H,30,31,32)