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

Systemtic Name: prop-2-ynyl 2-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)benzoate Openeye Name: prop-2-ynyl 2-(4-isopropyl-4-methyl-5-thioxo-1H-imidazol-2-yl)benzoate CAS Name: 2-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)benzoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 2-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)benzoate Traditional Name: 2-(4-isopropyl-4-methyl-5-thioxo-2-imidazolin-2-yl)benzoic acid propargyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=S)NC(=N1)C2=CC=CC=C2C(=O)OCC#C)C

Isomeric SMILES

CC(C)C1(C(=S)NC(=N1)C2=CC=CC=C2C(=O)OCC#C)C

InChI

InChI=1S/C17H18N2O2S/c1-5-10-21-15(20)13-9-7-6-8-12(13)14-18-16(22)17(4,19-14)11(2)3/h1,6-9,11H,10H2,2-4H3,(H,18,19,22)