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

Systemtic Name: 2-azanyl-4-(4-bromanyl-5-methyl-thiophen-2-yl)-1-(4-iodophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-methyl-2-thienyl)-1-(4-iodophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-methyl-2-thiophenyl)-1-(4-iodophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-1-(4-iodophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-methyl-2-thienyl)-1-(4-iodophenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H17BrIN3OS MolecularWeight: 566.25265

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrIN3OS/c1-11-15(22)9-18(28-11)19-14(10-24)21(25)26(13-7-5-12(23)6-8-13)16-3-2-4-17(27)20(16)19/h5-9,19H,2-4,25H2,1H3