4-(butylamino)-2-methyl-5-nitro-6-sulfanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 4-(butylamino)-2-methyl-5-nitro-6-sulfanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 4-(butylamino)-2-methyl-5-nitro-6-thioxo-1H-pyridine-3-carboxylic acid CAS Name: 4-(butylamino)-2-methyl-5-nitro-6-sulfanylidene-1H-pyridine-3-carboxylic acid IUPAC Name: 4-(butylamino)-2-methyl-5-nitro-6-sulfanylidene-1H-pyridine-3-carboxylic acid Traditional Name: 4-(butylamino)-2-methyl-5-nitro-6-thioxo-1H-pyridine-3-carboxylic acid Formula: C11H15N3O4S MolecularWeight: 285.3195

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=S)NC(=C1C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=S)NC(=C1C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O4S/c1-3-4-5-12-8-7(11(15)16)6(2)13-10(19)9(8)14(17)18/h3-5H2,1-2H3,(H,15,16)(H2,12,13,19)