ethanoic acid; 2-phenylsulfanylethanenitrile

Systemtic Name: ethanoic acid; 2-phenylsulfanylethanenitrile Openeye Name: acetic acid; 2-phenylsulfanylacetonitrile CAS Name: acetic acid; 2-(phenylthio)acetonitrile IUPAC Name: acetic acid; 2-phenylsulfanylacetonitrile Traditional Name: acetic acid; 2-(phenylthio)acetonitrile Formula: C10H11NO2S MolecularWeight: 209.26484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)SCC#N

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)SCC#N

InChI

InChI=1S/C8H7NS.C2H4O2/c9-6-7-10-8-4-2-1-3-5-8;1-2(3)4/h1-5H,7H2;1H3,(H,3,4)