2-(4-nitrososulfanyl-1-oxidanyl-butan-2-yl)isoindole-1-carbonitrile

Systemtic Name: 2-(4-nitrososulfanyl-1-oxidanyl-butan-2-yl)isoindole-1-carbonitrile Openeye Name: 2-[1-(hydroxymethyl)-3-nitrososulfanyl-propyl]isoindole-1-carbonitrile CAS Name: 3-(1-cyano-2-isoindolyl)-4-hydroxy-N-oxo-1-butanesulfenamide IUPAC Name: 2-(1-hydroxy-4-nitrososulfanylbutan-2-yl)isoindole-1-carbonitrile Traditional Name: 2-[1-methylol-3-(nitrosothio)propyl]isoindole-1-carbonitrile Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CN(C(=C2C=C1)C#N)C(CCSN=O)CO

Isomeric SMILES

C1=CC2=CN(C(=C2C=C1)C#N)C(CCSN=O)CO

InChI

InChI=1S/C13H13N3O2S/c14-7-13-12-4-2-1-3-10(12)8-16(13)11(9-17)5-6-19-15-18/h1-4,8,11,17H,5-6,9H2