methyl 4-(2-imidazol-1-yl-1-phenyl-ethyl)sulfanylbenzoate

Systemtic Name: methyl 4-(2-imidazol-1-yl-1-phenyl-ethyl)sulfanylbenzoate Openeye Name: methyl 4-(2-imidazol-1-yl-1-phenyl-ethyl)sulfanylbenzoate CAS Name: 4-[[2-(1-imidazolyl)-1-phenylethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-(2-imidazol-1-yl-1-phenylethyl)sulfanylbenzoate Traditional Name: 4-[(2-imidazol-1-yl-1-phenyl-ethyl)thio]benzoic acid methyl ester Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SC(CN2C=CN=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC(CN2C=CN=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O2S/c1-23-19(22)16-7-9-17(10-8-16)24-18(13-21-12-11-20-14-21)15-5-3-2-4-6-15/h2-12,14,18H,13H2,1H3