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

Systemtic Name: 2-azanyl-4-(5-ethyl-2-ethylsulfanyl-thiophen-3-yl)-7,7-dimethyl-5-oxidanylidene-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-ethyl-2-ethylsulfanyl-3-thienyl)-7,7-dimethyl-5-oxo-1-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[5-ethyl-2-(ethylthio)-3-thiophenyl]-7,7-dimethyl-5-oxo-1-(3-pyridinyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-ethyl-2-(ethylthio)-3-thienyl]-5-keto-7,7-dimethyl-1-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H28N4OS2 MolecularWeight: 464.64602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4OS2/c1-5-16-10-17(24(32-16)31-6-2)21-18(13-26)23(27)29(15-8-7-9-28-14-15)19-11-25(3,4)12-20(30)22(19)21/h7-10,14,21H,5-6,11-12,27H2,1-4H3