ethyl 1-[3-(imidazol-1-ylmethyl)phenyl]-2-methylsulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-[3-(imidazol-1-ylmethyl)phenyl]-2-methylsulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-[3-(imidazol-1-ylmethyl)phenyl]-2-methylsulfanyl-benzimidazole-5-carboxylate CAS Name: 1-[3-(1-imidazolylmethyl)phenyl]-2-(methylthio)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(imidazol-1-ylmethyl)phenyl]-2-methylsulfanylbenzimidazole-5-carboxylate Traditional Name: 1-[3-(imidazol-1-ylmethyl)phenyl]-2-(methylthio)benzimidazole-5-carboxylic acid ethyl ester Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SC)C3=CC=CC(=C3)CN4C=CN=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SC)C3=CC=CC(=C3)CN4C=CN=C4

InChI

InChI=1S/C21H20N4O2S/c1-3-27-20(26)16-7-8-19-18(12-16)23-21(28-2)25(19)17-6-4-5-15(11-17)13-24-10-9-22-14-24/h4-12,14H,3,13H2,1-2H3