N,N-dimethyl-3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenesulfonamide Traditional Name: N,N-dimethyl-3-[[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]benzenesulfonamide Formula: C22H27N5O2S2 MolecularWeight: 457.61208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)S(=O)(=O)N(C)C)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)S(=O)(=O)N(C)C)N4CCCC4

InChI

InChI=1S/C22H27N5O2S2/c1-17-9-11-19(12-10-17)27-21(26-13-4-5-14-26)23-24-22(27)30-16-18-7-6-8-20(15-18)31(28,29)25(2)3/h6-12,15H,4-5,13-14,16H2,1-3H3