1-ethyl-3-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-ethyl-3-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-ethyl-3-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCCCN3C4=CC=CC=C4NC3=O)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCCCN3C4=CC=CC=C4NC3=O)C#N

InChI

InChI=1S/C22H24N4OS/c1-2-18-16-9-4-3-8-15(16)17(14-23)21(24-18)28-13-7-12-26-20-11-6-5-10-19(20)25-22(26)27/h5-6,10-11H,2-4,7-9,12-13H2,1H3,(H,25,27)