1-[2,2-dimethyl-3-oxidanyl-6-(trifluoromethylsulfanyl)chromen-4-yl]-4-methyl-piperazin-2-one

Systemtic Name: 1-[2,2-dimethyl-3-oxidanyl-6-(trifluoromethylsulfanyl)chromen-4-yl]-4-methyl-piperazin-2-one Openeye Name: 1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]-4-methyl-piperazin-2-one CAS Name: 1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylthio)-1-benzopyran-4-yl]-4-methyl-2-piperazinone IUPAC Name: 1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]-4-methylpiperazin-2-one Traditional Name: 1-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylthio)chromen-4-yl]-4-methyl-piperazin-2-one Formula: C17H19F3N2O3S MolecularWeight: 388.40457

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)SC(F)(F)F)N3CCN(CC3=O)C)O)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)SC(F)(F)F)N3CCN(CC3=O)C)O)C

InChI

InChI=1S/C17H19F3N2O3S/c1-16(2)15(24)14(22-7-6-21(3)9-13(22)23)11-8-10(26-17(18,19)20)4-5-12(11)25-16/h4-5,8,24H,6-7,9H2,1-3H3