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

Systemtic Name: 2-azanyl-1-(4-bromanyl-2-methyl-phenyl)-4-(2-ethylsulfanylthiophen-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromo-2-methyl-phenyl)-4-(2-ethylsulfanyl-3-thienyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromo-2-methylphenyl)-4-[2-(ethylthio)-3-thiophenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromo-2-methylphenyl)-4-(2-ethylsulfanylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromo-2-methyl-phenyl)-4-[2-(ethylthio)-3-thienyl]-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H22BrN3OS2 MolecularWeight: 500.47428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CS1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Br)C)N)C#N

Isomeric SMILES

CCSC1=C(C=CS1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Br)C)N)C#N

InChI

InChI=1S/C23H22BrN3OS2/c1-3-29-23-15(9-10-30-23)20-16(12-25)22(26)27(17-8-7-14(24)11-13(17)2)18-5-4-6-19(28)21(18)20/h7-11,20H,3-6,26H2,1-2H3