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

Systemtic Name: 2-(1-oxidanyl-4-sulfanyl-butan-2-yl)isoindole-1-carbonitrile Openeye Name: 2-[1-(hydroxymethyl)-3-sulfanyl-propyl]isoindole-1-carbonitrile CAS Name: 2-(1-hydroxy-4-mercaptobutan-2-yl)-1-isoindolecarbonitrile IUPAC Name: 2-(1-hydroxy-4-sulfanylbutan-2-yl)isoindole-1-carbonitrile Traditional Name: 2-(3-mercapto-1-methylol-propyl)isoindole-1-carbonitrile Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CN(C(=C2C=C1)C#N)C(CCS)CO

Isomeric SMILES

C1=CC2=CN(C(=C2C=C1)C#N)C(CCS)CO

InChI

InChI=1S/C13H14N2OS/c14-7-13-12-4-2-1-3-10(12)8-15(13)11(9-16)5-6-17/h1-4,8,11,16-17H,5-6,9H2