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

Systemtic Name: 3-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[2-(3-bromophenyl)-2-oxo-ethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[[2-(3-bromophenyl)-2-oxoethyl]thio]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[2-(3-bromophenyl)-2-oxoethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[2-(3-bromophenyl)-2-keto-ethyl]thio]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C24H19BrN2OS MolecularWeight: 463.38946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C24H19BrN2OS/c25-18-10-6-9-17(13-18)22(28)15-29-24-21(14-26)19-11-4-5-12-20(19)23(27-24)16-7-2-1-3-8-16/h1-3,6-10,13H,4-5,11-12,15H2