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

Systemtic Name: 2-azanyl-1-(3-bromophenyl)-4-(5-methyl-2-methylsulfanyl-thiophen-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-bromophenyl)-4-(5-methyl-2-methylsulfanyl-3-thienyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(3-bromophenyl)-4-[5-methyl-2-(methylthio)-3-thiophenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-bromophenyl)-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-bromophenyl)-5-keto-4-[5-methyl-2-(methylthio)-3-thienyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H20BrN3OS2 MolecularWeight: 486.4477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrN3OS2/c1-12-9-15(22(28-2)29-12)19-16(11-24)21(25)26(14-6-3-5-13(23)10-14)17-7-4-8-18(27)20(17)19/h3,5-6,9-10,19H,4,7-8,25H2,1-2H3