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

Systemtic Name: pentyl 2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylate Openeye Name: pentyl 2-thioxo-1,3-dihydrobenzimidazole-5-carboxylate CAS Name: 2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylic acid pentyl ester IUPAC Name: pentyl 2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylate Traditional Name: 2-thioxo-1,3-dihydrobenzimidazole-5-carboxylic acid amyl ester Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2S/c1-2-3-4-7-17-12(16)9-5-6-10-11(8-9)15-13(18)14-10/h5-6,8H,2-4,7H2,1H3,(H2,14,15,18)