5-ethanoyl-6-methyl-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[(3S)-2-oxoazepan-3-yl]sulfanyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[[(3S)-2-oxo-3-azepanyl]thio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[(3S)-2-oxoazepan-3-yl]sulfanylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[(3S)-2-ketoazepan-3-yl]thio]-6-methyl-nicotinonitrile Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC2CCCCNC2=O)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)S[C@H]2CCCCNC2=O)C#N)C(=O)C

InChI

InChI=1S/C15H17N3O2S/c1-9-12(10(2)19)7-11(8-16)15(18-9)21-13-5-3-4-6-17-14(13)20/h7,13H,3-6H2,1-2H3,(H,17,20)/t13-/m0/s1