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

Systemtic Name: 2-azanyl-1-(4-chloranyl-3-nitro-phenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-chloro-3-nitro-phenyl)-4-(2,5-dimethyl-3-thienyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(4-chloro-3-nitrophenyl)-4-(2,5-dimethyl-3-thiophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-chloro-3-nitrophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-chloro-3-nitro-phenyl)-4-(2,5-dimethyl-3-thienyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N)C#N

Isomeric SMILES

CC1=CC(=C(S1)C)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C22H19ClN4O3S/c1-11-8-14(12(2)31-11)20-15(10-24)22(25)26(17-4-3-5-19(28)21(17)20)13-6-7-16(23)18(9-13)27(29)30/h6-9,20H,3-5,25H2,1-2H3