N,4-bis(4-fluorophenyl)-5-oxidanylidene-3-pyridin-4-yl-1,2-oxazole-2-carbothioamide

Systemtic Name: N,4-bis(4-fluorophenyl)-5-oxidanylidene-3-pyridin-4-yl-1,2-oxazole-2-carbothioamide Openeye Name: N,4-bis(4-fluorophenyl)-5-oxo-3-(4-pyridyl)isoxazole-2-carbothioamide CAS Name: N,4-bis(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-2-isoxazolecarbothioamide IUPAC Name: N,4-bis(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazole-2-carbothioamide Traditional Name: N,4-bis(4-fluorophenyl)-5-keto-3-(4-pyridyl)-3-isoxazoline-2-carbothioamide Formula: C21H13F2N3O2S MolecularWeight: 409.408626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(N(OC2=O)C(=S)NC3=CC=C(C=C3)F)C4=CC=NC=C4)F

Isomeric SMILES

C1=CC(=CC=C1C2=C(N(OC2=O)C(=S)NC3=CC=C(C=C3)F)C4=CC=NC=C4)F

InChI

InChI=1S/C21H13F2N3O2S/c22-15-3-1-13(2-4-15)18-19(14-9-11-24-12-10-14)26(28-20(18)27)21(29)25-17-7-5-16(23)6-8-17/h1-12H,(H,25,29)