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

Systemtic Name: N,N-dimethyl-3-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[[5-morpholino-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[[[4-(4-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenesulfonamide Traditional Name: N,N-dimethyl-3-[[[5-morpholino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzenesulfonamide Formula: C22H27N5O3S2 MolecularWeight: 473.61148

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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)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)S(=O)(=O)N(C)C)N4CCOCC4

InChI

InChI=1S/C22H27N5O3S2/c1-17-7-9-19(10-8-17)27-21(26-11-13-30-14-12-26)23-24-22(27)31-16-18-5-4-6-20(15-18)32(28,29)25(2)3/h4-10,15H,11-14,16H2,1-3H3