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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(N=C2CCCCC2=C1C#N)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)CC1=C(N=C2CCCCC2=C1C#N)SCC(=O)C3=CC=C(C=C3)Br

InChI

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