4-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylmethyl]-3-methyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: 4-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylmethyl]-3-methyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: 4-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 4-[[(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)thio]methyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate IUPAC Name: 4-[(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 4-[[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)thio]methyl]-6-keto-3-methyl-7H-thieno[2,3-b]pyridine-2-carboxylate Formula: C24H17N4O3S2- MolecularWeight: 473.54678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC(=O)NC5=C4C(=C(S5)C(=O)[O-])C)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC(=O)NC5=C4C(=C(S5)C(=O)[O-])C)C#N

InChI

InChI=1S/C24H18N4O3S2/c1-3-13-9-19(28-17-7-5-4-6-16(17)26-22(28)15(13)10-25)32-11-14-8-18(29)27-23-20(14)12(2)21(33-23)24(30)31/h4-9H,3,11H2,1-2H3,(H,27,29)(H,30,31)/p-1