3-(3-azanylpyridin-2-yl)sulfanylazepan-2-one

Systemtic Name: 3-(3-azanylpyridin-2-yl)sulfanylazepan-2-one Openeye Name: 3-[(3-amino-2-pyridyl)sulfanyl]azepan-2-one CAS Name: 3-[(3-amino-2-pyridinyl)thio]-2-azepanone IUPAC Name: 3-(3-aminopyridin-2-yl)sulfanylazepan-2-one Traditional Name: 3-[(3-amino-2-pyridyl)thio]azepan-2-one Formula: C11H15N3OS MolecularWeight: 237.3213

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=C(C=CC=N2)N

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=C(C=CC=N2)N

InChI

InChI=1S/C11H15N3OS/c12-8-4-3-7-14-11(8)16-9-5-1-2-6-13-10(9)15/h3-4,7,9H,1-2,5-6,12H2,(H,13,15)