(6Z)-4-ethyl-6-[4-(4-fluoranyl-2-methyl-phenyl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-4-ethyl-6-[4-(4-fluoranyl-2-methyl-phenyl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-4-ethyl-6-[4-(4-fluoro-2-methyl-phenyl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-4-ethyl-6-[4-(4-fluoro-2-methylphenyl)-5-mercapto-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-4-ethyl-6-[4-(4-fluoro-2-methylphenyl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxycyclohexa-2,4-dien-1-one Traditional Name: (6Z)-4-ethyl-6-[4-(4-fluoro-2-methyl-phenyl)-5-mercapto-3-pyrazolin-3-ylidene]-3-hydroxy-cyclohexa-2,4-dien-1-one Formula: C18H17FN2O2S MolecularWeight: 344.403183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)S)C3=C(C=C(C=C3)F)C)C(=O)C=C1O

Isomeric SMILES

CCC1=C/C(=C/2\C(=C(NN2)S)C3=C(C=C(C=C3)F)C)/C(=O)C=C1O

InChI

InChI=1S/C18H17FN2O2S/c1-3-10-7-13(15(23)8-14(10)22)17-16(18(24)21-20-17)12-5-4-11(19)6-9(12)2/h4-8,20-22,24H,3H2,1-2H3/b17-13-