2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-isobutyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-isobutyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H23BrN2OS MolecularWeight: 443.39982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=NC2=C1CCCC2)SCC(=O)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CC(C)CC1=C(C(=NC2=C1CCCC2)SCC(=O)C3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C22H23BrN2OS/c1-14(2)11-18-17-5-3-4-6-20(17)25-22(19(18)12-24)27-13-21(26)15-7-9-16(23)10-8-15/h7-10,14H,3-6,11,13H2,1-2H3