5-[[3,5-bis(trifluoromethyl)phenyl]amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-[[3,5-bis(trifluoromethyl)phenyl]amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile Openeye Name: 5-[3,5-bis(trifluoromethyl)anilino]-3-oxo-isothiazole-4-carbonitrile CAS Name: 5-[3,5-bis(trifluoromethyl)anilino]-3-oxo-4-isothiazolecarbonitrile IUPAC Name: 5-[3,5-bis(trifluoromethyl)anilino]-3-oxo-1,2-thiazole-4-carbonitrile Traditional Name: 5-[3,5-bis(trifluoromethyl)anilino]-3-keto-4-isothiazoline-4-carbonitrile Formula: C12H5F6N3OS MolecularWeight: 353.243019

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)NC2=C(C(=O)NS2)C#N)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)NC2=C(C(=O)NS2)C#N)C(F)(F)F

InChI

InChI=1S/C12H5F6N3OS/c13-11(14,15)5-1-6(12(16,17)18)3-7(2-5)20-10-8(4-19)9(22)21-23-10/h1-3,20H,(H,21,22)