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

Systemtic Name: (3E,5S)-5-(4-methoxyphenyl)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-N-phenyl-pyrazolidine-1-carbothioamide Openeye Name: (3E,5S)-5-(4-methoxyphenyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-N-phenyl-pyrazolidine-1-carbothioamide CAS Name: (3E,5S)-5-(4-methoxyphenyl)-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-N-phenyl-1-pyrazolidinecarbothioamide IUPAC Name: (3E,5S)-5-(4-methoxyphenyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-N-phenylpyrazolidine-1-carbothioamide Traditional Name: (3E,5S)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)-5-(4-methoxyphenyl)-N-phenyl-pyrazolidine-1-carbothioamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C/C(=C\3/C=CC=CC3=O)/NN2C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c1-28-18-13-11-16(12-14-18)21-15-20(19-9-5-6-10-22(19)27)25-26(21)23(29)24-17-7-3-2-4-8-17/h2-14,21,25H,15H2,1H3,(H,24,29)/b20-19+/t21-/m0/s1