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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-5-methyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-5-methyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-5-methyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-5-methylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-5-methyl-2-pyrazolin-3-one Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=O)C1=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H27N3O2S/c1-14-20(15-12-16(24(2,3)4)21(29)17(13-15)25(5,6)7)22(30)28(27-14)23-26-18-10-8-9-11-19(18)31-23/h8-13H,1-7H3