3-phenylsulfanyl-2-[4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)phenyl]carbonyl-cyclohex-2-en-1-one

Systemtic Name: 3-phenylsulfanyl-2-[4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)phenyl]carbonyl-cyclohex-2-en-1-one Openeye Name: 3-phenylsulfanyl-2-[4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoyl]cyclohex-2-en-1-one CAS Name: 2-[oxo-[4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-3-(phenylthio)-1-cyclohex-2-enone IUPAC Name: 3-phenylsulfanyl-2-[4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoyl]cyclohex-2-en-1-one Traditional Name: 3-(phenylthio)-2-[4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoyl]cyclohex-2-en-1-one Formula: C22H16F3N3O2S MolecularWeight: 443.44155

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)C(=O)C2=C(C=C(C=C2)N3C=NC=N3)C(F)(F)F)SC4=CC=CC=C4

Isomeric SMILES

C1CC(=C(C(=O)C1)C(=O)C2=C(C=C(C=C2)N3C=NC=N3)C(F)(F)F)SC4=CC=CC=C4

InChI

InChI=1S/C22H16F3N3O2S/c23-22(24,25)17-11-14(28-13-26-12-27-28)9-10-16(17)21(30)20-18(29)7-4-8-19(20)31-15-5-2-1-3-6-15/h1-3,5-6,9-13H,4,7-8H2