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

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(1H-benzimidazol-2-ylmethylthio)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H20N4S MolecularWeight: 348.4646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCC3=NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCC3=NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C20H20N4S/c1-2-16-14-8-4-3-7-13(14)15(11-21)20(24-16)25-12-19-22-17-9-5-6-10-18(17)23-19/h5-6,9-10H,2-4,7-8,12H2,1H3,(H,22,23)