(6Z)-4-ethyl-6-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1H-pyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-4-ethyl-6-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1H-pyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-4-ethyl-3-hydroxy-6-[5-methyl-4-(4-methylthiazol-2-yl)-2-phenyl-1H-pyrazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-4-ethyl-3-hydroxy-6-[5-methyl-4-(4-methyl-2-thiazolyl)-2-phenyl-1H-pyrazol-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-4-ethyl-3-hydroxy-6-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1H-pyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-4-ethyl-3-hydroxy-6-[5-methyl-4-(4-methylthiazol-2-yl)-2-phenyl-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C22H21N3O2S MolecularWeight: 391.48604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2C3=CC=CC=C3)C)C4=NC(=CS4)C)C(=O)C=C1O

Isomeric SMILES

CCC1=C/C(=C/2\C(=C(NN2C3=CC=CC=C3)C)C4=NC(=CS4)C)/C(=O)C=C1O

InChI

InChI=1S/C22H21N3O2S/c1-4-15-10-17(19(27)11-18(15)26)21-20(22-23-13(2)12-28-22)14(3)24-25(21)16-8-6-5-7-9-16/h5-12,24,26H,4H2,1-3H3/b21-17-