3-[(2-oxidanylidene-1,3-benzoxathiol-6-yl)oxymethyl]benzenecarbonitrile

Systemtic Name: 3-[(2-oxidanylidene-1,3-benzoxathiol-6-yl)oxymethyl]benzenecarbonitrile Openeye Name: 3-[(2-oxo-1,3-benzoxathiol-6-yl)oxymethyl]benzonitrile CAS Name: 3-[(2-oxo-1,3-benzoxathiol-6-yl)oxymethyl]benzonitrile IUPAC Name: 3-[(2-oxo-1,3-benzoxathiol-6-yl)oxymethyl]benzonitrile Traditional Name: 3-[(2-keto-1,3-benzoxathiol-6-yl)oxymethyl]benzonitrile Formula: C15H9NO3S MolecularWeight: 283.30186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=CC3=C(C=C2)SC(=O)O3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC3=C(C=C2)SC(=O)O3)C#N

InChI

InChI=1S/C15H9NO3S/c16-8-10-2-1-3-11(6-10)9-18-12-4-5-14-13(7-12)19-15(17)20-14/h1-7H,9H2