2-(1H-benzimidazol-2-ylmethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C19H18N4S MolecularWeight: 334.43802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H18N4S/c20-11-14-10-13-6-2-1-3-7-15(13)23-19(14)24-12-18-21-16-8-4-5-9-17(16)22-18/h4-5,8-10H,1-3,6-7,12H2,(H,21,22)