(3E)-5-(3-methoxy-4-oxidanyl-phenyl)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-N-phenyl-pyrazolidine-1-carbothioamide

Systemtic Name: (3E)-5-(3-methoxy-4-oxidanyl-phenyl)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-N-phenyl-pyrazolidine-1-carbothioamide Openeye Name: (3E)-5-(4-hydroxy-3-methoxy-phenyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-N-phenyl-pyrazolidine-1-carbothioamide CAS Name: (3E)-5-(4-hydroxy-3-methoxyphenyl)-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-N-phenyl-1-pyrazolidinecarbothioamide IUPAC Name: (3E)-5-(4-hydroxy-3-methoxyphenyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-N-phenylpyrazolidine-1-carbothioamide Traditional Name: (3E)-5-(4-hydroxy-3-methoxy-phenyl)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)-N-phenyl-pyrazolidine-1-carbothioamide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CC(=C3C=CC=CC3=O)NN2C(=S)NC4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C/C(=C\3/C=CC=CC3=O)/NN2C(=S)NC4=CC=CC=C4)O

InChI

InChI=1S/C23H21N3O3S/c1-29-22-13-15(11-12-21(22)28)19-14-18(17-9-5-6-10-20(17)27)25-26(19)23(30)24-16-7-3-2-4-8-16/h2-13,19,25,28H,14H2,1H3,(H,24,30)/b18-17+