2-(4-bromanylbutylsulfanyl)-4,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-(4-bromanylbutylsulfanyl)-4,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-(4-bromobutylsulfanyl)-4,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(4-bromobutylthio)-4,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-(4-bromobutylsulfanyl)-4,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(4-bromobutylthio)-5-keto-4,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C17H23BrN2OS MolecularWeight: 383.34632

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SCCCCBr)C#N

Isomeric SMILES

CC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SCCCCBr)C#N

InChI

InChI=1S/C17H23BrN2OS/c1-11-12(10-19)16(22-7-5-4-6-18)20-13-8-17(2,3)9-14(21)15(11)13/h11,20H,4-9H2,1-3H3