4-(2-oxidanylidene-1,3,4-oxathiazol-5-yl)benzenecarbonitrile

Systemtic Name: 4-(2-oxidanylidene-1,3,4-oxathiazol-5-yl)benzenecarbonitrile Openeye Name: 4-(2-oxo-1,3,4-oxathiazol-5-yl)benzonitrile CAS Name: 4-(2-oxo-1,3,4-oxathiazol-5-yl)benzonitrile IUPAC Name: 4-(2-oxo-1,3,4-oxathiazol-5-yl)benzonitrile Traditional Name: 4-(2-keto-1,3,4-oxathiazol-5-yl)benzonitrile Formula: C9H4N2O2S MolecularWeight: 204.20526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NSC(=O)O2

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NSC(=O)O2

InChI

InChI=1S/C9H4N2O2S/c10-5-6-1-3-7(4-2-6)8-11-14-9(12)13-8/h1-4H