2-azanyl-4-(5-butylthiophen-2-yl)-1-(4-chloranyl-3-nitro-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-butylthiophen-2-yl)-1-(4-chloranyl-3-nitro-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-butyl-2-thienyl)-1-(4-chloro-3-nitro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(5-butyl-2-thiophenyl)-1-(4-chloro-3-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-butylthiophen-2-yl)-1-(4-chloro-3-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-butyl-2-thienyl)-1-(4-chloro-3-nitro-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C26H27ClN4O3S MolecularWeight: 511.03558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N)C#N

Isomeric SMILES

CCCCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C26H27ClN4O3S/c1-4-5-6-16-8-10-22(35-16)23-17(14-28)25(29)30(15-7-9-18(27)19(11-15)31(33)34)20-12-26(2,3)13-21(32)24(20)23/h7-11,23H,4-6,12-13,29H2,1-3H3