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

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[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=C3C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C19H21N3O2S2/c20-13-16-7-3-4-8-17(16)15-25-19-10-9-18(14-21-19)26(23,24)22-11-5-1-2-6-12-22/h3-4,7-10,14H,1-2,5-6,11-12,15H2