N-(2-chlorophenyl)-3-[4-(6-methylheptan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: N-(2-chlorophenyl)-3-[4-(6-methylheptan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N-(2-chlorophenyl)-3-[4-(1,5-dimethylhexyl)-5-thioxo-1H-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N-(2-chlorophenyl)-3-[4-(6-methylheptan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N-(2-chlorophenyl)-3-[4-(6-methylheptan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N-(2-chlorophenyl)-3-[4-(1,5-dimethylhexyl)-5-thioxo-1H-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C22H27ClN4O2S2 MolecularWeight: 479.05838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)N1C(=NNC1=S)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)CCCC(C)N1C(=NNC1=S)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C22H27ClN4O2S2/c1-15(2)8-6-9-16(3)27-21(24-25-22(27)30)17-10-7-11-18(14-17)31(28,29)26-20-13-5-4-12-19(20)23/h4-5,7,10-16,26H,6,8-9H2,1-3H3,(H,25,30)