(Z)-3-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)-2-phenyl-but-2-enoic acid

Systemtic Name: (Z)-3-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)-2-phenyl-but-2-enoic acid Openeye Name: (Z)-3-(4-isopropyl-4-methyl-5-thioxo-1H-imidazol-2-yl)-2-phenyl-but-2-enoic acid CAS Name: (Z)-3-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)-2-phenyl-2-butenoic acid IUPAC Name: (Z)-3-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)-2-phenylbut-2-enoic acid Traditional Name: (Z)-3-(4-isopropyl-4-methyl-5-thioxo-2-imidazolin-2-yl)-2-phenyl-but-2-enoic acid Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=S)NC(=N1)C(=C(C2=CC=CC=C2)C(=O)O)C)C

Isomeric SMILES

CC(C)C1(C(=S)NC(=N1)/C(=C(/C2=CC=CC=C2)\C(=O)O)/C)C

InChI

InChI=1S/C17H20N2O2S/c1-10(2)17(4)16(22)18-14(19-17)11(3)13(15(20)21)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,20,21)(H,18,19,22)/b13-11-