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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CC(=C3C=CC(=O)C=C3O)NN2C(=S)NC4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C/C(=C\3/C=CC(=O)C=C3O)/NN2C(=S)NC4=CC=CC=C4)O

InChI

InChI=1S/C23H21N3O4S/c1-30-22-11-14(7-10-20(22)28)19-13-18(17-9-8-16(27)12-21(17)29)25-26(19)23(31)24-15-5-3-2-4-6-15/h2-12,19,25,28-29H,13H2,1H3,(H,24,31)/b18-17+