methyl 2-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)benzoate hydrochloride

Systemtic Name: methyl 2-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)benzoate hydrochloride Openeye Name: methyl 2-(4-isopropyl-4-methyl-5-thioxo-1H-imidazol-2-yl)benzoate hydrochloride CAS Name: 2-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)benzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)benzoate hydrochloride Traditional Name: 2-(4-isopropyl-4-methyl-5-thioxo-2-imidazolin-2-yl)benzoic acid methyl ester hydrochloride Formula: C15H19ClN2O2S MolecularWeight: 326.84156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=S)NC(=N1)C2=CC=CC=C2C(=O)OC)C.Cl

Isomeric SMILES

CC(C)C1(C(=S)NC(=N1)C2=CC=CC=C2C(=O)OC)C.Cl

InChI

InChI=1S/C15H18N2O2S.ClH/c1-9(2)15(3)14(20)16-12(17-15)10-7-5-6-8-11(10)13(18)19-4;/h5-9H,1-4H3,(H,16,17,20);1H