2-azanyl-4-[3-[(4-fluorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-[(4-fluorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-[(4-fluorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxo-1-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[3-[[(4-fluorophenyl)thio]methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-1-(3-pyridinyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(4-fluorophenyl)sulfanylmethyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[[(4-fluorophenyl)thio]methyl]-2,5-dimethyl-phenyl]-5-keto-7,7-dimethyl-1-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C32H31FN4OS MolecularWeight: 538.678143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CN=CC=C4)N)C#N)C)CSC5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CN=CC=C4)N)C#N)C)CSC5=CC=C(C=C5)F

InChI

InChI=1S/C32H31FN4OS/c1-19-12-21(18-39-24-9-7-22(33)8-10-24)20(2)25(13-19)29-26(16-34)31(35)37(23-6-5-11-36-17-23)27-14-32(3,4)15-28(38)30(27)29/h5-13,17,29H,14-15,18,35H2,1-4H3