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

Systemtic Name: (4S)-2-azanyl-4-(5-bromanylthiophen-2-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: (4S)-2-amino-4-(5-bromo-2-thienyl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: (4S)-2-amino-4-(5-bromo-2-thiophenyl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: (4S)-2-amino-4-(5-bromo-2-thienyl)-5-keto-7,7-dimethyl-1-(4-nitrophenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C22H19BrN4O3S MolecularWeight: 499.38026

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)C4=CC=C(S4)Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)C4=CC=C(S4)Br)C(=O)C1)C

InChI

InChI=1S/C22H19BrN4O3S/c1-22(2)9-15-20(16(28)10-22)19(17-7-8-18(23)31-17)14(11-24)21(25)26(15)12-3-5-13(6-4-12)27(29)30/h3-8,19H,9-10,25H2,1-2H3/t19-/m1/s1