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

Systemtic Name: methyl 4-(1-cyclohexyl-2-imidazol-1-yl-ethyl)sulfanylbenzoate Openeye Name: methyl 4-(1-cyclohexyl-2-imidazol-1-yl-ethyl)sulfanylbenzoate CAS Name: 4-[[1-cyclohexyl-2-(1-imidazolyl)ethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-(1-cyclohexyl-2-imidazol-1-ylethyl)sulfanylbenzoate Traditional Name: 4-[(1-cyclohexyl-2-imidazol-1-yl-ethyl)thio]benzoic acid methyl ester Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SC(CN2C=CN=C2)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC(CN2C=CN=C2)C3CCCCC3

InChI

InChI=1S/C19H24N2O2S/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/h7-12,14-15,18H,2-6,13H2,1H3