N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C19H20N6O5S2 MolecularWeight: 476.5293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])S(=O)(=O)N(C)C

InChI

InChI=1S/C19H20N6O5S2/c1-12-5-7-14(10-17(12)32(29,30)23(2)3)21-18(26)13-6-8-16(15(9-13)25(27)28)31-19-22-20-11-24(19)4/h5-11H,1-4H3,(H,21,26)