3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C19H17BrN2OS MolecularWeight: 401.32008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C19H17BrN2OS/c1-12-15-4-2-3-5-16(15)17(10-21)19(22-12)24-11-18(23)13-6-8-14(20)9-7-13/h6-9H,2-5,11H2,1H3