11-pyridin-2-ylsulfanyl-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile

Systemtic Name: 11-pyridin-2-ylsulfanyl-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile Openeye Name: 11-(2-pyridylsulfanyl)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile CAS Name: 11-(2-pyridinylthio)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile IUPAC Name: 11-pyridin-2-ylsulfanyl-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile Traditional Name: 11-(2-pyridylthio)-7,8,9,10-tetrahydrobenzimidazol[1,2-b]isoquinoline-6-carbonitrile Formula: C21H16N4S MolecularWeight: 356.44354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)SC5=CC=CC=N5

Isomeric SMILES

C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)SC5=CC=CC=N5

InChI

InChI=1S/C21H16N4S/c22-13-16-14-7-1-2-8-15(14)21(26-19-11-5-6-12-23-19)25-18-10-4-3-9-17(18)24-20(16)25/h3-6,9-12H,1-2,7-8H2