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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N2C(CC(=C3C=CC(=O)C=C3O)N2)C4=CC=C(C=C4)O

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N2C(C/C(=C\3/C=CC(=O)C=C3O)/N2)C4=CC=C(C=C4)O

InChI

InChI=1S/C23H21N3O4S/c1-30-22-5-3-2-4-18(22)24-23(31)26-20(14-6-8-15(27)9-7-14)13-19(25-26)17-11-10-16(28)12-21(17)29/h2-12,20,25,27,29H,13H2,1H3,(H,24,31)/b19-17+