methyl 4-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1-cyclopropyl-5-phenyl-2-imidazolyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-cyclopropyl-5-phenyl-imidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(N2C3CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(N2C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O2S/c1-25-20(24)17-9-7-15(8-10-17)14-26-21-22-13-19(23(21)18-11-12-18)16-5-3-2-4-6-16/h2-10,13,18H,11-12,14H2,1H3