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

Systemtic Name: methyl 2-[2-(4-methylpyridin-2-yl)phenyl]sulfanyl-3H-benzimidazole-5-carboxylate Openeye Name: methyl 2-[2-(4-methyl-2-pyridyl)phenyl]sulfanyl-3H-benzimidazole-5-carboxylate CAS Name: 2-[[2-(4-methyl-2-pyridinyl)phenyl]thio]-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-methylpyridin-2-yl)phenyl]sulfanyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-[[2-(4-methyl-2-pyridyl)phenyl]thio]-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C21H17N3O2S MolecularWeight: 375.44358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C2=CC=CC=C2SC3=NC4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=NC=C1)C2=CC=CC=C2SC3=NC4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H17N3O2S/c1-13-9-10-22-17(11-13)15-5-3-4-6-19(15)27-21-23-16-8-7-14(20(25)26-2)12-18(16)24-21/h3-12H,1-2H3,(H,23,24)