2-ethanimidoyl-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-ethanimidoyl-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-4-[(1-oxido-2-pyridin-1-iumyl)thio]-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[(1-oxidopyridin-1-ium-2-yl)thio]butyronitrile Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=CC=CC=[N+]1[O-]

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C11H11N3O2S/c1-8(13)9(6-12)10(15)7-17-11-4-2-3-5-14(11)16/h2-5,9,13H,7H2,1H3