methyl 5-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[1-(p-tolyl)benzimidazol-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[1-(4-methylphenyl)-2-benzimidazolyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[1-(p-tolyl)benzimidazol-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C21H18N2O3S/c1-14-7-9-15(10-8-14)23-18-6-4-3-5-17(18)22-21(23)27-13-16-11-12-19(26-16)20(24)25-2/h3-12H,13H2,1-2H3