(E)-1-[2,6-bis(fluoranyl)phenyl]-3-[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-3-methyl-pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-[2,6-bis(fluoranyl)phenyl]-3-[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-3-methyl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-[5-chloro-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-pyrazol-4-yl]-1-(2,6-difluorophenyl)prop-2-en-1-one CAS Name: (E)-3-[5-chloro-1-[(3S)-1,1-dioxo-3-thiolanyl]-3-methyl-4-pyrazolyl]-1-(2,6-difluorophenyl)-2-propen-1-one IUPAC Name: (E)-3-[5-chloro-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-yl]-1-(2,6-difluorophenyl)prop-2-en-1-one Traditional Name: (E)-3-[5-chloro-1-[(3S)-1,1-diketothiolan-3-yl]-3-methyl-pyrazol-4-yl]-1-(2,6-difluorophenyl)prop-2-en-1-one Formula: C17H15ClF2N2O3S MolecularWeight: 400.827406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=C(C=CC=C2F)F)Cl)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=C(C=CC=C2F)F)Cl)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C17H15ClF2N2O3S/c1-10-12(5-6-15(23)16-13(19)3-2-4-14(16)20)17(18)22(21-10)11-7-8-26(24,25)9-11/h2-6,11H,7-9H2,1H3/b6-5+/t11-/m0/s1