1-(4-chlorophenyl)-3-(phenylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-(4-chlorophenyl)-3-(phenylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-benzylsulfanyl-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(4-chlorophenyl)-3-(phenylmethylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(benzylthio)-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C23H19ClN2S MolecularWeight: 390.92836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H19ClN2S/c24-18-12-10-17(11-13-18)22-20-9-5-4-8-19(20)21(14-25)23(26-22)27-15-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,15H2