2-azanyl-4-(4-bromanylthiophen-2-yl)-1-(2-methyl-5-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-bromanylthiophen-2-yl)-1-(2-methyl-5-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-thienyl)-1-(2-methyl-5-nitro-phenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-thiophenyl)-1-(2-methyl-5-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromothiophen-2-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-thienyl)-5-keto-1-(2-methyl-5-nitro-phenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H17BrN4O3S MolecularWeight: 485.35368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)Br)C(=O)CCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)Br)C(=O)CCC3

InChI

InChI=1S/C21H17BrN4O3S/c1-11-5-6-13(26(28)29)8-16(11)25-15-3-2-4-17(27)20(15)19(14(9-23)21(25)24)18-7-12(22)10-30-18/h5-8,10,19H,2-4,24H2,1H3