methyl 5-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate

Systemtic Name: methyl 5-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate Openeye Name: methyl 5-cyclohexyl-4-oxo-2-thioxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate CAS Name: 5-cyclohexyl-4-oxo-2-sulfanylidene-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylic acid methyl ester IUPAC Name: methyl 5-cyclohexyl-4-oxo-2-sulfanylidene-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate Traditional Name: 5-cyclohexyl-4-keto-2-thioxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylic acid methyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=C1NC(=S)N2)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=C1NC(=S)N2)C3CCCCC3

InChI

InChI=1S/C14H17N3O3S/c1-20-13(19)9-7-17(8-5-3-2-4-6-8)12(18)11-10(9)15-14(21)16-11/h7-8H,2-6H2,1H3,(H2,15,16,21)