4-[(3-bromanyl-5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one

Systemtic Name: 4-[(3-bromanyl-5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one Openeye Name: 4-[(3-bromo-5-ethoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-2-(4-phenylthiazol-2-yl)-1H-pyrazol-3-one CAS Name: 4-[(3-bromo-5-ethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-5-methyl-2-(4-phenyl-2-thiazolyl)-1H-pyrazol-3-one IUPAC Name: 4-[(3-bromo-5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one Traditional Name: 4-[(3-bromo-5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-2-(4-phenylthiazol-2-yl)-3-pyrazolin-3-one Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=CC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C)C1=O)Br

Isomeric SMILES

CCOC1=CC(=CC(=CC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C)C1=O)Br

InChI

InChI=1S/C22H18BrN3O3S/c1-3-29-19-11-16(23)9-15(20(19)27)10-17-13(2)25-26(21(17)28)22-24-18(12-30-22)14-7-5-4-6-8-14/h4-12,25H,3H2,1-2H3