4-[3-(dimethylamino)propylamino]-2-methyl-5-nitro-6-sulfanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 4-[3-(dimethylamino)propylamino]-2-methyl-5-nitro-6-sulfanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 4-[3-(dimethylamino)propylamino]-2-methyl-5-nitro-6-thioxo-1H-pyridine-3-carboxylic acid CAS Name: 4-[3-(dimethylamino)propylamino]-2-methyl-5-nitro-6-sulfanylidene-1H-pyridine-3-carboxylic acid IUPAC Name: 4-[3-(dimethylamino)propylamino]-2-methyl-5-nitro-6-sulfanylidene-1H-pyridine-3-carboxylic acid Traditional Name: 4-[3-(dimethylamino)propylamino]-2-methyl-5-nitro-6-thioxo-1H-pyridine-3-carboxylic acid Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=S)N1)[N+](=O)[O-])NCCCN(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=S)N1)[N+](=O)[O-])NCCCN(C)C)C(=O)O

InChI

InChI=1S/C12H18N4O4S/c1-7-8(12(17)18)9(13-5-4-6-15(2)3)10(16(19)20)11(21)14-7/h4-6H2,1-3H3,(H,17,18)(H2,13,14,21)