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

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

Click to see the large picture

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