2-(5-chloranyl-2-cyano-3-methyl-phenyl)-2-sulfanyl-ethanoic acid

Systemtic Name: 2-(5-chloranyl-2-cyano-3-methyl-phenyl)-2-sulfanyl-ethanoic acid Openeye Name: 2-(5-chloro-2-cyano-3-methyl-phenyl)-2-sulfanyl-acetic acid CAS Name: 2-(5-chloro-2-cyano-3-methylphenyl)-2-mercaptoacetic acid IUPAC Name: 2-(5-chloro-2-cyano-3-methylphenyl)-2-sulfanylacetic acid Traditional Name: 2-(5-chloro-2-cyano-3-methyl-phenyl)-2-mercapto-acetic acid Formula: C10H8ClNO2S MolecularWeight: 241.69402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C#N)C(C(=O)O)S)Cl

Isomeric SMILES

CC1=CC(=CC(=C1C#N)C(C(=O)O)S)Cl

InChI

InChI=1S/C10H8ClNO2S/c1-5-2-6(11)3-7(8(5)4-12)9(15)10(13)14/h2-3,9,15H,1H3,(H,13,14)