N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]quinoline-8-sulfonamide

Systemtic Name: N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]quinoline-8-sulfonamide Openeye Name: N-[1-[5-(m-tolylmethylsulfanyl)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]quinoline-8-sulfonamide CAS Name: N-[1-[5-[(3-methylphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-8-quinolinesulfonamide IUPAC Name: N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]quinoline-8-sulfonamide Traditional Name: N-[1-[5-[(3-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]quinoline-8-sulfonamide Formula: C33H28N6O4S2 MolecularWeight: 636.74322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])C(CC4=CC=CC=C4)NS(=O)(=O)C5=CC=CC6=C5N=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])C(CC4=CC=CC=C4)NS(=O)(=O)C5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C33H28N6O4S2/c1-23-8-5-11-25(20-23)22-44-33-36-35-32(38(33)27-15-17-28(18-16-27)39(40)41)29(21-24-9-3-2-4-10-24)37-45(42,43)30-14-6-12-26-13-7-19-34-31(26)30/h2-20,29,37H,21-22H2,1H3