(3R,4S)-4-phenyl-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-3-carbonitrile

Systemtic Name: (3R,4S)-4-phenyl-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-3-carbonitrile Openeye Name: (3R,4S)-4-phenyl-2-thioxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-3-carbonitrile CAS Name: (3R,4S)-4-phenyl-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-3-carbonitrile IUPAC Name: (3R,4S)-4-phenyl-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-3-carbonitrile Traditional Name: (3R,4S)-4-phenyl-2-thioxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-3-carbonitrile Formula: C13H9F3N2S MolecularWeight: 282.28417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=C(NC(=S)C2C#N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2C=C(NC(=S)[C@H]2C#N)C(F)(F)F

InChI

InChI=1S/C13H9F3N2S/c14-13(15,16)11-6-9(8-4-2-1-3-5-8)10(7-17)12(19)18-11/h1-6,9-10H,(H,18,19)/t9-,10+/m1/s1