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

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C18H15BrN2OS MolecularWeight: 387.2935

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCC(=O)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCC(=O)C3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C18H15BrN2OS/c19-15-7-5-12(6-8-15)17(22)11-23-18-14(10-20)9-13-3-1-2-4-16(13)21-18/h5-9H,1-4,11H2