2-(3-azanylpyridin-4-yl)sulfanyl-1-(azepan-1-yl)ethanone

Systemtic Name: 2-(3-azanylpyridin-4-yl)sulfanyl-1-(azepan-1-yl)ethanone Openeye Name: 2-[(3-amino-4-pyridyl)sulfanyl]-1-(azepan-1-yl)ethanone CAS Name: 2-[(3-amino-4-pyridinyl)thio]-1-(1-azepanyl)ethanone IUPAC Name: 2-(3-aminopyridin-4-yl)sulfanyl-1-(azepan-1-yl)ethanone Traditional Name: 2-[(3-amino-4-pyridyl)thio]-1-(azepan-1-yl)ethanone Formula: C13H19N3OS MolecularWeight: 265.37446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=C(C=NC=C2)N

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=C(C=NC=C2)N

InChI

InChI=1S/C13H19N3OS/c14-11-9-15-6-5-12(11)18-10-13(17)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10,14H2