prop-2-enoic acid; 2-sulfanylbutanenitrile

Systemtic Name: prop-2-enoic acid; 2-sulfanylbutanenitrile Openeye Name: acrylic acid; 2-sulfanylbutanenitrile CAS Name: 2-mercaptobutanenitrile; 2-propenoic acid IUPAC Name: prop-2-enoic acid; 2-sulfanylbutanenitrile Traditional Name: acrylic acid; 2-mercaptobutyronitrile Formula: C7H11NO2S MolecularWeight: 173.23274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)S.C=CC(=O)O

Isomeric SMILES

CCC(C#N)S.C=CC(=O)O

InChI

InChI=1S/C4H7NS.C3H4O2/c1-2-4(6)3-5;1-2-3(4)5/h4,6H,2H2,1H3;2H,1H2,(H,4,5)