6-azanyl-2-ethyl-4-(3-nitrophenyl)-4-sulfanyl-3H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 6-azanyl-2-ethyl-4-(3-nitrophenyl)-4-sulfanyl-3H-pyridine-3,5-dicarboxylic acid Openeye Name: 6-amino-2-ethyl-4-(3-nitrophenyl)-4-sulfanyl-3H-pyridine-3,5-dicarboxylic acid CAS Name: 6-amino-2-ethyl-4-mercapto-4-(3-nitrophenyl)-3H-pyridine-3,5-dicarboxylic acid IUPAC Name: 6-amino-2-ethyl-4-(3-nitrophenyl)-4-sulfanyl-3H-pyridine-3,5-dicarboxylic acid Traditional Name: 6-amino-2-ethyl-4-mercapto-4-(3-nitrophenyl)-3H-pyridine-3,5-dicarboxylic acid Formula: C15H15N3O6S MolecularWeight: 365.3611

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(C1C(=O)O)(C2=CC(=CC=C2)[N+](=O)[O-])S)C(=O)O)N

Isomeric SMILES

CCC1=NC(=C(C(C1C(=O)O)(C2=CC(=CC=C2)[N+](=O)[O-])S)C(=O)O)N

InChI

InChI=1S/C15H15N3O6S/c1-2-9-10(13(19)20)15(25,11(14(21)22)12(16)17-9)7-4-3-5-8(6-7)18(23)24/h3-6,10,25H,2,16H2,1H3,(H,19,20)(H,21,22)