(3Z)-5-(4-dimethylaminophenyl)-3-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-N-(2-methylphenyl)pyrazolidine-1-carbothioamide

Systemtic Name: (3Z)-5-(4-dimethylaminophenyl)-3-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-N-(2-methylphenyl)pyrazolidine-1-carbothioamide Openeye Name: (3Z)-5-(4-dimethylaminophenyl)-3-(3-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-(o-tolyl)pyrazolidine-1-carbothioamide CAS Name: (3Z)-5-(4-dimethylaminophenyl)-3-(3-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-N-(2-methylphenyl)-1-pyrazolidinecarbothioamide IUPAC Name: (3Z)-5-(4-dimethylaminophenyl)-3-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-N-(2-methylphenyl)pyrazolidine-1-carbothioamide Traditional Name: (3Z)-5-(4-dimethylaminophenyl)-3-(4-keto-3-methyl-cyclohexa-2,5-dien-1-ylidene)-N-(o-tolyl)pyrazolidine-1-carbothioamide Formula: C26H28N4OS MolecularWeight: 444.59172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2C(CC(=C3C=CC(=O)C(=C3)C)N2)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2C(C/C(=C/3\C=CC(=O)C(=C3)C)/N2)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C26H28N4OS/c1-17-7-5-6-8-22(17)27-26(32)30-24(19-9-12-21(13-10-19)29(3)4)16-23(28-30)20-11-14-25(31)18(2)15-20/h5-15,24,28H,16H2,1-4H3,(H,27,32)/b23-20-