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

Systemtic Name: (3Z)-5-(furan-2-yl)-3-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-N-(2-methylphenyl)pyrazolidine-1-carbothioamide Openeye Name: (3Z)-5-(2-furyl)-3-(3-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-(o-tolyl)pyrazolidine-1-carbothioamide CAS Name: (3Z)-5-(2-furanyl)-3-(3-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-N-(2-methylphenyl)-1-pyrazolidinecarbothioamide IUPAC Name: (3Z)-5-(furan-2-yl)-3-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-N-(2-methylphenyl)pyrazolidine-1-carbothioamide Traditional Name: (3Z)-5-(2-furyl)-3-(4-keto-3-methyl-cyclohexa-2,5-dien-1-ylidene)-N-(o-tolyl)pyrazolidine-1-carbothioamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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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=CO4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2C(C/C(=C/3\C=CC(=O)C(=C3)C)/N2)C4=CC=CO4

InChI

InChI=1S/C22H21N3O2S/c1-14-6-3-4-7-17(14)23-22(28)25-19(21-8-5-11-27-21)13-18(24-25)16-9-10-20(26)15(2)12-16/h3-12,19,24H,13H2,1-2H3,(H,23,28)/b18-16-