2-azanyl-4-(5-methyl-2-methylsulfanyl-thiophen-3-yl)-1-(2-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-methyl-2-methylsulfanyl-thiophen-3-yl)-1-(2-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-methyl-2-methylsulfanyl-3-thienyl)-1-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[5-methyl-2-(methylthio)-3-thiophenyl]-1-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-1-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-4-[5-methyl-2-(methylthio)-3-thienyl]-1-(2-nitrophenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S2/c1-12-10-13(22(30-2)31-12)19-14(11-23)21(24)25(17-8-5-9-18(27)20(17)19)15-6-3-4-7-16(15)26(28)29/h3-4,6-7,10,19H,5,8-9,24H2,1-2H3