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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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