3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(1H-benzimidazol-2-ylmethylthio)-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C24H19ClN4S MolecularWeight: 430.95246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H19ClN4S/c25-16-11-9-15(10-12-16)23-18-6-2-1-5-17(18)19(13-26)24(29-23)30-14-22-27-20-7-3-4-8-21(20)28-22/h3-4,7-12H,1-2,5-6,14H2,(H,27,28)