(3E)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-3-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide

Systemtic Name: (3E)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-3-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)pyrazolidine-1-carbothioamide Openeye Name: (3E)-3-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)pyrazolidine-1-carbothioamide CAS Name: (3E)-3-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-1-pyrazolidinecarbothioamide IUPAC Name: (3E)-3-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)pyrazolidine-1-carbothioamide Traditional Name: (3E)-3-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)pyrazolidine-1-carbothioamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N2C(CC(=C3C=CC(=O)C=C3O)N2)C4=CC=C(C=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N2C(C/C(=C\3/C=CC(=O)C=C3O)/N2)C4=CC=C(C=C4)O

InChI

InChI=1S/C23H21N3O4S/c1-30-18-9-4-15(5-10-18)24-23(31)26-21(14-2-6-16(27)7-3-14)13-20(25-26)19-11-8-17(28)12-22(19)29/h2-12,21,25,27,29H,13H2,1H3,(H,24,31)/b20-19+