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

Systemtic Name: N-(2-methylphenyl)-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-5-thiophen-2-yl-pyrazolidine-1-carbothioamide Openeye Name: N-(o-tolyl)-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-5-(2-thienyl)pyrazolidine-1-carbothioamide CAS Name: N-(2-methylphenyl)-3-(4-oxo-1-cyclohexa-2,5-dienylidene)-5-thiophen-2-yl-1-pyrazolidinecarbothioamide IUPAC Name: N-(2-methylphenyl)-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-5-thiophen-2-ylpyrazolidine-1-carbothioamide Traditional Name: 3-(4-ketocyclohexa-2,5-dien-1-ylidene)-N-(o-tolyl)-5-(2-thienyl)pyrazolidine-1-carbothioamide Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2C(CC(=C3C=CC(=O)C=C3)N2)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2C(CC(=C3C=CC(=O)C=C3)N2)C4=CC=CS4

InChI

InChI=1S/C21H19N3OS2/c1-14-5-2-3-6-17(14)22-21(26)24-19(20-7-4-12-27-20)13-18(23-24)15-8-10-16(25)11-9-15/h2-12,19,23H,13H2,1H3,(H,22,26)