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

Systemtic Name: 2-azanyl-4-(2-ethylsulfanylthiophen-3-yl)-1-(2-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(2-ethylsulfanyl-3-thienyl)-1-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[2-(ethylthio)-3-thiophenyl]-1-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(2-ethylsulfanylthiophen-3-yl)-1-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[2-(ethylthio)-3-thienyl]-5-keto-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:

CCSC1=C(C=CS1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4[N+](=O)[O-])N)C#N

Isomeric SMILES

CCSC1=C(C=CS1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4[N+](=O)[O-])N)C#N

InChI

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