4-[4-methyl-3-[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-methyl-3-[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-methyl-3-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-methyl-3-[[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]thio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-methyl-3-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-[[2-keto-2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C22H22F3N5O2S MolecularWeight: 477.50259

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H22F3N5O2S/c1-28-20(15-5-7-18(31)8-6-15)26-27-21(28)33-14-19(32)30-11-9-29(10-12-30)17-4-2-3-16(13-17)22(23,24)25/h2-8,13,26H,9-12,14H2,1H3