4-chloranylbenzenecarbonitrile; 2-sulfanylethanoic acid

Systemtic Name: 4-chloranylbenzenecarbonitrile; 2-sulfanylethanoic acid Openeye Name: 4-chlorobenzonitrile; 2-sulfanylacetic acid CAS Name: 4-chlorobenzonitrile; 2-mercaptoacetic acid IUPAC Name: 4-chlorobenzonitrile; 2-sulfanylacetic acid Traditional Name: 4-chlorobenzonitrile; 2-mercaptoacetic acid Formula: C9H8ClNO2S MolecularWeight: 229.68332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)Cl.C(C(=O)O)S

Isomeric SMILES

C1=CC(=CC=C1C#N)Cl.C(C(=O)O)S

InChI

InChI=1S/C7H4ClN.C2H4O2S/c8-7-3-1-6(5-9)2-4-7;3-2(4)1-5/h1-4H;5H,1H2,(H,3,4)