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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Br)N2C3=C(C(C(=C2N)C#N)C4=C(SC(=C4)C)SC)C(=O)CCC3

Isomeric SMILES

CC1=C(C(=CC=C1)Br)N2C3=C(C(C(=C2N)C#N)C4=C(SC(=C4)C)SC)C(=O)CCC3

InChI

InChI=1S/C23H22BrN3OS2/c1-12-6-4-7-16(24)21(12)27-17-8-5-9-18(28)20(17)19(15(11-25)22(27)26)14-10-13(2)30-23(14)29-3/h4,6-7,10,19H,5,8-9,26H2,1-3H3