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

Systemtic Name: 3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C24H19ClN2OS MolecularWeight: 418.93846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19ClN2OS/c25-18-12-10-16(11-13-18)22(28)15-29-24-21(14-26)19-8-4-5-9-20(19)23(27-24)17-6-2-1-3-7-17/h1-3,6-7,10-13H,4-5,8-9,15H2