5-(hydroxymethyl)-2-methylsulfanyl-benzenecarbonitrile

Systemtic Name: 5-(hydroxymethyl)-2-methylsulfanyl-benzenecarbonitrile Openeye Name: 5-(hydroxymethyl)-2-methylsulfanyl-benzonitrile CAS Name: 5-(hydroxymethyl)-2-(methylthio)benzonitrile IUPAC Name: 5-(hydroxymethyl)-2-methylsulfanylbenzonitrile Traditional Name: 5-methylol-2-(methylthio)benzonitrile Formula: C9H9NOS MolecularWeight: 179.23886

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)CO)C#N

Isomeric SMILES

CSC1=C(C=C(C=C1)CO)C#N

InChI

InChI=1S/C9H9NOS/c1-12-9-3-2-7(6-11)4-8(9)5-10/h2-4,11H,6H2,1H3