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

Systemtic Name: 6-azanyl-4-(3-cyanophenyl)-2-ethyl-4-sulfanyl-3H-pyridine-3,5-dicarboxylic acid Openeye Name: 6-amino-4-(3-cyanophenyl)-2-ethyl-4-sulfanyl-3H-pyridine-3,5-dicarboxylic acid CAS Name: 6-amino-4-(3-cyanophenyl)-2-ethyl-4-mercapto-3H-pyridine-3,5-dicarboxylic acid IUPAC Name: 6-amino-4-(3-cyanophenyl)-2-ethyl-4-sulfanyl-3H-pyridine-3,5-dicarboxylic acid Traditional Name: 6-amino-4-(3-cyanophenyl)-2-ethyl-4-mercapto-3H-pyridine-3,5-dicarboxylic acid Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(C1C(=O)O)(C2=CC=CC(=C2)C#N)S)C(=O)O)N

Isomeric SMILES

CCC1=NC(=C(C(C1C(=O)O)(C2=CC=CC(=C2)C#N)S)C(=O)O)N

InChI

InChI=1S/C16H15N3O4S/c1-2-10-11(14(20)21)16(24,12(15(22)23)13(18)19-10)9-5-3-4-8(6-9)7-17/h3-6,11,24H,2,18H2,1H3,(H,20,21)(H,22,23)