(E)-2-cyclopropylcarbonyl-3-oxidanyl-3-[[4-sulfanylidene-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]amino]prop-2-enenitrile

Systemtic Name: (E)-2-cyclopropylcarbonyl-3-oxidanyl-3-[[4-sulfanylidene-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]amino]prop-2-enenitrile Openeye Name: (E)-2-(cyclopropanecarbonyl)-3-hydroxy-3-[[4-thioxo-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]amino]prop-2-enenitrile CAS Name: (E)-2-[cyclopropyl(oxo)methyl]-3-hydroxy-3-[[4-sulfanylidene-6-(trifluoromethyl)-1-cyclohexa-1,5-dienyl]amino]-2-propenenitrile IUPAC Name: (E)-2-(cyclopropanecarbonyl)-3-hydroxy-3-[[4-sulfanylidene-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]amino]prop-2-enenitrile Traditional Name: (E)-2-(cyclopropanecarbonyl)-3-hydroxy-3-[[4-thioxo-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]amino]acrylonitrile Formula: C14H11F3N2O2S MolecularWeight: 328.30955

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C(=C(NC2=CCC(=S)C=C2C(F)(F)F)O)C#N

Isomeric SMILES

C1CC1C(=O)/C(=C(\NC2=CCC(=S)C=C2C(F)(F)F)/O)/C#N

InChI

InChI=1S/C14H11F3N2O2S/c15-14(16,17)10-5-8(22)3-4-11(10)19-13(21)9(6-18)12(20)7-1-2-7/h4-5,7,19,21H,1-3H2/b13-9+