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

Systemtic Name: N-(3-methoxyphenyl)-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-5-thiophen-2-yl-pyrazolidine-1-carbothioamide Openeye Name: N-(3-methoxyphenyl)-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-5-(2-thienyl)pyrazolidine-1-carbothioamide CAS Name: N-(3-methoxyphenyl)-3-(4-oxo-1-cyclohexa-2,5-dienylidene)-5-thiophen-2-yl-1-pyrazolidinecarbothioamide IUPAC Name: N-(3-methoxyphenyl)-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-(3-methoxyphenyl)-5-(2-thienyl)pyrazolidine-1-carbothioamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2C(CC(=C3C=CC(=O)C=C3)N2)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2C(CC(=C3C=CC(=O)C=C3)N2)C4=CC=CS4

InChI

InChI=1S/C21H19N3O2S2/c1-26-17-5-2-4-15(12-17)22-21(27)24-19(20-6-3-11-28-20)13-18(23-24)14-7-9-16(25)10-8-14/h2-12,19,23H,13H2,1H3,(H,22,27)