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

Systemtic Name: 2-(3-chlorophenyl)-4-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-5-thiophen-2-yl-pyrazol-3-one Openeye Name: 2-(3-chlorophenyl)-4-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-5-(2-thienyl)pyrazol-3-one CAS Name: 2-(3-chlorophenyl)-4-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-5-thiophen-2-yl-3-pyrazolone IUPAC Name: 2-(3-chlorophenyl)-4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-5-thiophen-2-ylpyrazol-3-one Traditional Name: 2-(3-chlorophenyl)-4-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-5-(2-thienyl)-2-pyrazolin-3-one Formula: C27H27ClN2O2S MolecularWeight: 479.03348

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H27ClN2O2S/c1-26(2,3)19-13-16(14-20(24(19)31)27(4,5)6)22-23(21-11-8-12-33-21)29-30(25(22)32)18-10-7-9-17(28)15-18/h7-15H,1-6H3