2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanenitrile Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetonitrile CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]acetonitrile IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetonitrile Formula: C13H17N3O2S2 MolecularWeight: 311.42298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC#N

InChI

InChI=1S/C13H17N3O2S2/c14-7-10-19-13-6-5-12(11-15-13)20(17,18)16-8-3-1-2-4-9-16/h5-6,11H,1-4,8-10H2