4-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-5-thiophen-2-yl-pyrazol-3-one

Systemtic Name: 4-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-5-thiophen-2-yl-pyrazol-3-one Openeye Name: 4-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-5-(2-thienyl)pyrazol-3-one CAS Name: 4-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2-phenyl-5-thiophen-2-yl-3-pyrazolone IUPAC Name: 4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2-phenyl-5-thiophen-2-ylpyrazol-3-one Traditional Name: 4-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-5-(2-thienyl)-2-pyrazolin-3-one Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CS4)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CS4)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C27H28N2O2S/c1-26(2,3)19-15-17(16-20(24(19)30)27(4,5)6)22-23(21-13-10-14-32-21)28-29(25(22)31)18-11-8-7-9-12-18/h7-16H,1-6H3