methyl 4-(2-imidazol-1-yl-1-pyridin-3-yl-ethyl)sulfanylbenzoate

Systemtic Name: methyl 4-(2-imidazol-1-yl-1-pyridin-3-yl-ethyl)sulfanylbenzoate Openeye Name: methyl 4-[2-imidazol-1-yl-1-(3-pyridyl)ethyl]sulfanylbenzoate CAS Name: 4-[[2-(1-imidazolyl)-1-(3-pyridinyl)ethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-(2-imidazol-1-yl-1-pyridin-3-ylethyl)sulfanylbenzoate Traditional Name: 4-[[2-imidazol-1-yl-1-(3-pyridyl)ethyl]thio]benzoic acid methyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2S/c1-23-18(22)14-4-6-16(7-5-14)24-17(12-21-10-9-20-13-21)15-3-2-8-19-11-15/h2-11,13,17H,12H2,1H3