4-[2-[bis(fluoranyl)methoxy]phenyl]-2-methyl-2-oxidanyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 4-[2-[bis(fluoranyl)methoxy]phenyl]-2-methyl-2-oxidanyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-[2-(difluoromethoxy)phenyl]-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-[2-(difluoromethoxy)phenyl]-2-hydroxy-6-mercapto-2-methyl-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 4-[2-(difluoromethoxy)phenyl]-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 4-[2-(difluoromethoxy)phenyl]-2-hydroxy-6-mercapto-2-methyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C19H18F2N3O2S+ MolecularWeight: 390.426926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(=C(N1)S)C#N)C2=CC=CC=C2OC(F)F)[N+]3=CC=CC=C3)O

Isomeric SMILES

CC1(C(C(C(=C(N1)S)C#N)C2=CC=CC=C2OC(F)F)[N+]3=CC=CC=C3)O

InChI

InChI=1S/C19H17F2N3O2S/c1-19(25)16(24-9-5-2-6-10-24)15(13(11-22)17(27)23-19)12-7-3-4-8-14(12)26-18(20)21/h2-10,15-16,18,23,25H,1H3/p+1