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

Systemtic Name: (phenylmethyl) 2-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)benzoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=S)NC(=N1)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC(C)C1(C(=S)NC(=N1)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O2S/c1-14(2)21(3)20(26)22-18(23-21)16-11-7-8-12-17(16)19(24)25-13-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,22,23,26)