N-methyl-4-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-methyl-4-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-[[5-morpholino-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[[4-(4-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-[[5-morpholino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-3-nitro-benzenesulfonamide Formula: C20H22N6O5S2 MolecularWeight: 490.55588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C20H22N6O5S2/c1-14-3-5-15(6-4-14)25-19(24-9-11-31-12-10-24)22-23-20(25)32-18-8-7-16(33(29,30)21-2)13-17(18)26(27)28/h3-8,13,21H,9-12H2,1-2H3