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

Systemtic Name: 2-azanyl-1-(4-bromanyl-2-methyl-phenyl)-4-(5-methyl-2-methylsulfanyl-thiophen-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromo-2-methyl-phenyl)-4-(5-methyl-2-methylsulfanyl-3-thienyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromo-2-methylphenyl)-4-[5-methyl-2-(methylthio)-3-thiophenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromo-2-methylphenyl)-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromo-2-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(S1)SC)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Br)C)N)C#N

Isomeric SMILES

CC1=CC(=C(S1)SC)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Br)C)N)C#N

InChI

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