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

Systemtic Name: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-phenyl-1H-pyrazol-3-one Openeye Name: 2-[4-(4-bromophenyl)thiazol-2-yl]-4-[(3-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-phenyl-1H-pyrazol-3-one CAS Name: 2-[4-(4-bromophenyl)-2-thiazolyl]-4-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-phenyl-1H-pyrazol-3-one IUPAC Name: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-phenyl-1H-pyrazol-3-one Traditional Name: 2-[4-(4-bromophenyl)thiazol-2-yl]-4-[(3-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-5-phenyl-3-pyrazolin-3-one Formula: C27H20BrN3O3S MolecularWeight: 546.435

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)Br)C5=CC=CC=C5)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)Br)C5=CC=CC=C5)C=CC1=O

InChI

InChI=1S/C27H20BrN3O3S/c1-2-34-24-15-17(8-13-23(24)32)14-21-25(19-6-4-3-5-7-19)30-31(26(21)33)27-29-22(16-35-27)18-9-11-20(28)12-10-18/h3-16,30H,2H2,1H3