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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylpropanenitrile Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]propanenitrile CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]propanenitrile IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylpropanenitrile Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]propionitrile Formula: C14H19N3O2S2 MolecularWeight: 325.44956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C#N)SC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C14H19N3O2S2/c1-12(10-15)20-14-7-6-13(11-16-14)21(18,19)17-8-4-2-3-5-9-17/h6-7,11-12H,2-5,8-9H2,1H3