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

Systemtic Name: N-[4-(dimethylcarbamoyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[4-(dimethylcarbamoyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[4-[dimethylamino(oxo)methyl]phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[4-(dimethylcarbamoyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[4-(dimethylcarbamoyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C19H18N6O4S MolecularWeight: 426.44902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4S/c1-23(2)18(27)12-4-7-14(8-5-12)21-17(26)13-6-9-16(15(10-13)25(28)29)30-19-22-20-11-24(19)3/h4-11H,1-3H3,(H,21,26)