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

Systemtic Name: N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]heptanamide Openeye Name: N-[1-[4-(5-chloro-2-methyl-phenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]heptanamide CAS Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylethyl]heptanamide IUPAC Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]heptanamide Traditional Name: N-[1-[4-(5-chloro-2-methyl-phenyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]enanthamide Formula: C32H37ClN4OS MolecularWeight: 561.18038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC(CC1=CC=CC=C1)C2=NN=C(N2C3=C(C=CC(=C3)Cl)C)SCC4=CC=CC(=C4)C

Isomeric SMILES

CCCCCCC(=O)NC(CC1=CC=CC=C1)C2=NN=C(N2C3=C(C=CC(=C3)Cl)C)SCC4=CC=CC(=C4)C

InChI

InChI=1S/C32H37ClN4OS/c1-4-5-6-10-16-30(38)34-28(20-25-13-8-7-9-14-25)31-35-36-32(39-22-26-15-11-12-23(2)19-26)37(31)29-21-27(33)18-17-24(29)3/h7-9,11-15,17-19,21,28H,4-6,10,16,20,22H2,1-3H3,(H,34,38)