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

Systemtic Name: 4-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(2-methylphenyl)-5-thiophen-2-yl-pyrazol-3-one Openeye Name: 4-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-(o-tolyl)-5-(2-thienyl)pyrazol-3-one CAS Name: 4-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2-(2-methylphenyl)-5-thiophen-2-yl-3-pyrazolone IUPAC Name: 4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(2-methylphenyl)-5-thiophen-2-ylpyrazol-3-one Traditional Name: 4-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-2-(o-tolyl)-5-(2-thienyl)-2-pyrazolin-3-one Formula: C28H30N2O2S MolecularWeight: 458.615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C(=N2)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C(=N2)C4=CC=CS4

InChI

InChI=1S/C28H30N2O2S/c1-17-11-8-9-12-21(17)30-26(32)23(24(29-30)22-13-10-14-33-22)18-15-19(27(2,3)4)25(31)20(16-18)28(5,6)7/h8-16H,1-7H3