ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-chloranyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-chloranyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-chloro-pyrimidine-5-carboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-chloro-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-chloropyrimidine-5-carboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-chloro-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H13ClN4O2S MolecularWeight: 348.80732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1Cl)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1Cl)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C15H13ClN4O2S/c1-2-22-14(21)9-7-17-12(20-13(9)16)8-23-15-18-10-5-3-4-6-11(10)19-15/h3-7H,2,8H2,1H3,(H,18,19)