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

Systemtic Name: 2-azanyl-4-(5-ethyl-2-ethylsulfanyl-thiophen-3-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-ethyl-2-ethylsulfanyl-3-thienyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[5-ethyl-2-(ethylthio)-3-thiophenyl]-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-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-nitrophenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C26H28N4O3S2 MolecularWeight: 508.65552

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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=CC(=CC=C4)[N+](=O)[O-])N)C#N

Isomeric SMILES

CCC1=CC(=C(S1)SCC)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C26H28N4O3S2/c1-5-17-11-18(25(35-17)34-6-2)22-19(14-27)24(28)29(15-8-7-9-16(10-15)30(32)33)20-12-26(3,4)13-21(31)23(20)22/h7-11,22H,5-6,12-13,28H2,1-4H3