(2E)-3-[3,5-bis(trifluoromethyl)phenyl]-3-oxidanylidene-2-thiomorpholin-3-ylidene-propanenitrile

Systemtic Name: (2E)-3-[3,5-bis(trifluoromethyl)phenyl]-3-oxidanylidene-2-thiomorpholin-3-ylidene-propanenitrile Openeye Name: (2E)-3-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-2-thiomorpholin-3-ylidene-propanenitrile CAS Name: (2E)-3-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-2-(3-thiomorpholinylidene)propanenitrile IUPAC Name: (2E)-3-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-2-thiomorpholin-3-ylidenepropanenitrile Traditional Name: (2E)-3-[3,5-bis(trifluoromethyl)phenyl]-3-keto-2-thiomorpholin-3-ylidene-propionitrile Formula: C15H10F6N2OS MolecularWeight: 380.308119

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(=C(C#N)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N1

Isomeric SMILES

C1CSC/C(=C(/C#N)\C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)/N1

InChI

InChI=1S/C15H10F6N2OS/c16-14(17,18)9-3-8(4-10(5-9)15(19,20)21)13(24)11(6-22)12-7-25-2-1-23-12/h3-5,23H,1-2,7H2/b12-11+