methyl 2-(1H-thieno[3,4-d]imidazol-2-ylsulfanylmethyl)pyridine-4-carboxylate dihydrochloride

Systemtic Name: methyl 2-(1H-thieno[3,4-d]imidazol-2-ylsulfanylmethyl)pyridine-4-carboxylate dihydrochloride Openeye Name: methyl 2-(1H-thieno[3,4-d]imidazol-2-ylsulfanylmethyl)pyridine-4-carboxylate dihydrochloride CAS Name: 2-[(1H-thieno[3,4-d]imidazol-2-ylthio)methyl]-4-pyridinecarboxylic acid methyl ester dihydrochloride IUPAC Name: methyl 2-(1H-thieno[3,4-d]imidazol-2-ylsulfanylmethyl)pyridine-4-carboxylate dihydrochloride Traditional Name: 2-[(1H-thien[3,4-d]imidazol-2-ylthio)methyl]isonicotinic acid methyl ester dihydrochloride Formula: C13H13Cl2N3O2S2 MolecularWeight: 378.29722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC=C1)CSC2=NC3=CSC=C3N2.Cl.Cl

Isomeric SMILES

COC(=O)C1=CC(=NC=C1)CSC2=NC3=CSC=C3N2.Cl.Cl

InChI

InChI=1S/C13H11N3O2S2.2ClH/c1-18-12(17)8-2-3-14-9(4-8)5-20-13-15-10-6-19-7-11(10)16-13;;/h2-4,6-7H,5H2,1H3,(H,15,16);2*1H