4-(4-fluorophenyl)-7,7-dimethyl-5-oxidanylidene-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(4-fluorophenyl)-7,7-dimethyl-5-oxidanylidene-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(4-fluorophenyl)-2-mercapto-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(4-fluorophenyl)-5-keto-2-mercapto-7,7-dimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C18H17FN2OS MolecularWeight: 328.403783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)S)C#N)C3=CC=C(C=C3)F)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)S)C#N)C3=CC=C(C=C3)F)C(=O)C1)C

InChI

InChI=1S/C18H17FN2OS/c1-18(2)7-13-16(14(22)8-18)15(12(9-20)17(23)21-13)10-3-5-11(19)6-4-10/h3-6,15,21,23H,7-8H2,1-2H3