4-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]butanenitrile CAS Name: 4-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]butanenitrile IUPAC Name: 4-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]butyronitrile Formula: C15H21N3O2S2 MolecularWeight: 339.47614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S2/c16-9-3-6-12-21-15-8-7-14(13-17-15)22(19,20)18-10-4-1-2-5-11-18/h7-8,13H,1-6,10-12H2