2-(pyridin-2-ylmethylsulfanyl)-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole

Systemtic Name: 2-(pyridin-2-ylmethylsulfanyl)-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole Openeye Name: 2-(2-pyridylmethylsulfanyl)-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole CAS Name: 2-(2-pyridinylmethylthio)-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole IUPAC Name: 2-(pyridin-2-ylmethylsulfanyl)-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole Traditional Name: 2-(2-pyridylmethylthio)-5,6,7,8-tetrahydro-1H-benzo[f]benzimidazole Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=CC3=C(C=C2C1)NC(=N3)SCC4=CC=CC=N4

Isomeric SMILES

C1CCC2=CC3=C(C=C2C1)NC(=N3)SCC4=CC=CC=N4

InChI

InChI=1S/C17H17N3S/c1-2-6-13-10-16-15(9-12(13)5-1)19-17(20-16)21-11-14-7-3-4-8-18-14/h3-4,7-10H,1-2,5-6,11H2,(H,19,20)