S-phenylsulfanyl 4-(4-fluorophenyl)-5-oxidanylidene-3-pyridin-4-yl-1,2-oxazole-2-carbothioate

Systemtic Name: S-phenylsulfanyl 4-(4-fluorophenyl)-5-oxidanylidene-3-pyridin-4-yl-1,2-oxazole-2-carbothioate Openeye Name: S-phenylsulfanyl 4-(4-fluorophenyl)-5-oxo-3-(4-pyridyl)isoxazole-2-carbothioate CAS Name: 4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-2-isoxazolecarbothioic acid S-(phenylthio) ester IUPAC Name: S-phenylsulfanyl 4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazole-2-carbothioate Traditional Name: 4-(4-fluorophenyl)-5-keto-3-(4-pyridyl)-3-isoxazoline-2-carbothioic acid S-(phenylthio) ester Formula: C21H13FN2O3S2 MolecularWeight: 424.467923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SSC(=O)N2C(=C(C(=O)O2)C3=CC=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)SSC(=O)N2C(=C(C(=O)O2)C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C21H13FN2O3S2/c22-16-8-6-14(7-9-16)18-19(15-10-12-23-13-11-15)24(27-20(18)25)21(26)29-28-17-4-2-1-3-5-17/h1-13H