4-(pyridin-3-ylmethyl)azepane-1-carbothioate

Systemtic Name: 4-(pyridin-3-ylmethyl)azepane-1-carbothioate Openeye Name: 4-(3-pyridylmethyl)azepane-1-carbothioate CAS Name: 4-(3-pyridinylmethyl)-1-azepanecarbothioate IUPAC Name: 4-(pyridin-3-ylmethyl)azepane-1-carbothioate Traditional Name: 4-(3-pyridylmethyl)azepane-1-carbothioate Formula: C13H17N2OS- MolecularWeight: 249.35188

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=S)[O-])CC2=CN=CC=C2

Isomeric SMILES

C1CC(CCN(C1)C(=S)[O-])CC2=CN=CC=C2

InChI

InChI=1S/C13H18N2OS/c16-13(17)15-7-2-4-11(5-8-15)9-12-3-1-6-14-10-12/h1,3,6,10-11H,2,4-5,7-9H2,(H,16,17)/p-1