butyl 2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylate

Systemtic Name: butyl 2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylate Openeye Name: butyl 2-thioxo-1,3-dihydrobenzimidazole-5-carboxylate CAS Name: 2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylic acid butyl ester IUPAC Name: butyl 2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylate Traditional Name: 2-thioxo-1,3-dihydrobenzimidazole-5-carboxylic acid butyl ester Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)NC(=S)N2

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)NC(=S)N2

InChI

InChI=1S/C12H14N2O2S/c1-2-3-6-16-11(15)8-4-5-9-10(7-8)14-12(17)13-9/h4-5,7H,2-3,6H2,1H3,(H2,13,14,17)