N-[1-[4-(2,4-dichlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]octane-1-sulfonamide

Systemtic Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]octane-1-sulfonamide Openeye Name: N-[1-[4-(2,4-dichlorophenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]octane-1-sulfonamide CAS Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylethyl]-1-octanesulfonamide IUPAC Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]octane-1-sulfonamide Traditional Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]octane-1-sulfonamide Formula: C32H38Cl2N4O2S2 MolecularWeight: 645.70572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H38Cl2N4O2S2/c1-3-4-5-6-7-11-19-42(39,40)37-29(21-25-14-9-8-10-15-25)31-35-36-32(41-23-26-16-12-13-24(2)20-26)38(31)30-18-17-27(33)22-28(30)34/h8-10,12-18,20,22,29,37H,3-7,11,19,21,23H2,1-2H3