(6E)-4-butyl-6-[4-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-4-butyl-6-[4-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-4-butyl-3-hydroxy-6-[4-(2-methylthiazol-4-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-4-butyl-3-hydroxy-6-[4-(2-methyl-4-thiazolyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-4-butyl-3-hydroxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-4-butyl-3-hydroxy-6-[4-(2-methylthiazol-4-yl)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C2C(=CNN2)C3=CSC(=N3)C)C(=O)C=C1O

Isomeric SMILES

CCCCC1=C/C(=C\2/C(=CNN2)C3=CSC(=N3)C)/C(=O)C=C1O

InChI

InChI=1S/C17H19N3O2S/c1-3-4-5-11-6-12(16(22)7-15(11)21)17-13(8-18-20-17)14-9-23-10(2)19-14/h6-9,18,20-21H,3-5H2,1-2H3/b17-12+