methyl 2-[2-(4-methoxypyridin-2-yl)phenyl]sulfanyl-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[2-(4-methoxypyridin-2-yl)phenyl]sulfanyl-3H-benzimidazole-5-carboxylate Openeye Name: methyl 2-[2-(4-methoxy-2-pyridyl)phenyl]sulfanyl-3H-benzimidazole-5-carboxylate CAS Name: 2-[[2-(4-methoxy-2-pyridinyl)phenyl]thio]-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-methoxypyridin-2-yl)phenyl]sulfanyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-[[2-(4-methoxy-2-pyridyl)phenyl]thio]-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC=C1)C2=CC=CC=C2SC3=NC4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC(=NC=C1)C2=CC=CC=C2SC3=NC4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H17N3O3S/c1-26-14-9-10-22-17(12-14)15-5-3-4-6-19(15)28-21-23-16-8-7-13(20(25)27-2)11-18(16)24-21/h3-12H,1-2H3,(H,23,24)