N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3,5,5-trimethyl-hexanamide

Systemtic Name: N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3,5,5-trimethyl-hexanamide Openeye Name: N-[1-[4-(5-chloro-2-methyl-phenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3,5,5-trimethyl-hexanamide CAS Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylethyl]-3,5,5-trimethylhexanamide IUPAC Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]-3,5,5-trimethylhexanamide Traditional Name: N-[1-[4-(5-chloro-2-methyl-phenyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3,5,5-trimethyl-hexanamide Formula: C34H41ClN4OS MolecularWeight: 589.23354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)C)C(CC4=CC=CC=C4)NC(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)C)C(CC4=CC=CC=C4)NC(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C34H41ClN4OS/c1-23-11-10-14-27(17-23)22-41-33-38-37-32(39(33)30-20-28(35)16-15-25(30)3)29(19-26-12-8-7-9-13-26)36-31(40)18-24(2)21-34(4,5)6/h7-17,20,24,29H,18-19,21-22H2,1-6H3,(H,36,40)