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

Systemtic Name: 2-azanyl-4-(5-ethyl-2-ethylsulfanyl-thiophen-3-yl)-1-(4-fluorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-ethyl-2-ethylsulfanyl-3-thienyl)-1-(4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[5-ethyl-2-(ethylthio)-3-thiophenyl]-1-(4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-1-(4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-ethyl-2-(ethylthio)-3-thienyl]-1-(4-fluorophenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C24H24FN3OS2 MolecularWeight: 453.595263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)SCC)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)F)N)C#N

Isomeric SMILES

CCC1=CC(=C(S1)SCC)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)F)N)C#N

InChI

InChI=1S/C24H24FN3OS2/c1-3-16-12-17(24(31-16)30-4-2)21-18(13-26)23(27)28(15-10-8-14(25)9-11-15)19-6-5-7-20(29)22(19)21/h8-12,21H,3-7,27H2,1-2H3