2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carbonitrile

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylpyridine-3-carbonitrile CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]nicotinonitrile Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=C(C=CC=N2)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=C(C=CC=N2)C#N

InChI

InChI=1S/C14H17N3OS/c15-10-12-6-5-7-16-14(12)19-11-13(18)17-8-3-1-2-4-9-17/h5-7H,1-4,8-9,11H2