5-(furan-2-yl)-N-(3-methylphenyl)-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide

Systemtic Name: 5-(furan-2-yl)-N-(3-methylphenyl)-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide Openeye Name: 5-(2-furyl)-N-(m-tolyl)-3-(4-oxocyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide CAS Name: 5-(2-furanyl)-N-(3-methylphenyl)-3-(4-oxo-1-cyclohexa-2,5-dienylidene)-1-pyrazolidinecarbothioamide IUPAC Name: 5-(furan-2-yl)-N-(3-methylphenyl)-3-(4-oxocyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide Traditional Name: 5-(2-furyl)-3-(4-ketocyclohexa-2,5-dien-1-ylidene)-N-(m-tolyl)pyrazolidine-1-carbothioamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2C(CC(=C3C=CC(=O)C=C3)N2)C4=CC=CO4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2C(CC(=C3C=CC(=O)C=C3)N2)C4=CC=CO4

InChI

InChI=1S/C21H19N3O2S/c1-14-4-2-5-16(12-14)22-21(27)24-19(20-6-3-11-26-20)13-18(23-24)15-7-9-17(25)10-8-15/h2-12,19,23H,13H2,1H3,(H,22,27)