3-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]benzonitrile Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H21N3O2S2/c20-13-16-6-5-7-17(12-16)15-25-19-9-8-18(14-21-19)26(23,24)22-10-3-1-2-4-11-22/h5-9,12,14H,1-4,10-11,15H2