methyl 4-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1-phenethyl-2-benzimidazolyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-phenethylbenzimidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O2S/c1-28-23(27)20-13-11-19(12-14-20)17-29-24-25-21-9-5-6-10-22(21)26(24)16-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3