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

Systemtic Name: 3-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[2-(3-bromophenyl)-2-oxo-ethyl]sulfanyl-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[[2-(3-bromophenyl)-2-oxoethyl]thio]-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[2-(3-bromophenyl)-2-oxoethyl]sulfanyl-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[2-(3-bromophenyl)-2-keto-ethyl]thio]-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H19BrN2OS MolecularWeight: 415.34666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC(=CC=C3)Br)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC(=CC=C3)Br)C#N

InChI

InChI=1S/C20H19BrN2OS/c1-2-18-16-9-4-3-8-15(16)17(11-22)20(23-18)25-12-19(24)13-6-5-7-14(21)10-13/h5-7,10H,2-4,8-9,12H2,1H3