2-azanyl-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-1-(4-chloranyl-3-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-1-(4-chloranyl-3-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-1-(4-chloro-3-nitro-phenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-ethyl-2-thiophenyl)-1-(4-chloro-3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-1-(4-chloro-3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-1-(4-chloro-3-nitro-phenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H18BrClN4O3S MolecularWeight: 533.82532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N)C#N)Br

Isomeric SMILES

CCC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N)C#N)Br

InChI

InChI=1S/C22H18BrClN4O3S/c1-2-18-13(23)9-19(32-18)20-12(10-25)22(26)27(15-4-3-5-17(29)21(15)20)11-6-7-14(24)16(8-11)28(30)31/h6-9,20H,2-5,26H2,1H3