2-azanyl-4-(5-ethyl-2-ethylsulfanyl-thiophen-3-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-ethyl-2-ethylsulfanyl-thiophen-3-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-ethyl-2-ethylsulfanyl-3-thienyl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[5-ethyl-2-(ethylthio)-3-thiophenyl]-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-ethyl-2-(ethylthio)-3-thienyl]-1-(4-fluorophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C26H28FN3OS2 MolecularWeight: 481.648423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)SCC)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)F)N)C#N

Isomeric SMILES

CCC1=CC(=C(S1)SCC)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)F)N)C#N

InChI

InChI=1S/C26H28FN3OS2/c1-5-17-11-18(25(33-17)32-6-2)22-19(14-28)24(29)30(16-9-7-15(27)8-10-16)20-12-26(3,4)13-21(31)23(20)22/h7-11,22H,5-6,12-13,29H2,1-4H3