2-(5-chloranyl-2-cyano-3-methyl-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(5-chloranyl-2-cyano-3-methyl-phenyl)sulfanylethanoic acid Openeye Name: 2-(5-chloro-2-cyano-3-methyl-phenyl)sulfanylacetic acid CAS Name: 2-[(5-chloro-2-cyano-3-methylphenyl)thio]acetic acid IUPAC Name: 2-(5-chloro-2-cyano-3-methylphenyl)sulfanylacetic acid Traditional Name: 2-[(5-chloro-2-cyano-3-methyl-phenyl)thio]acetic acid Formula: C10H8ClNO2S MolecularWeight: 241.69402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C#N)SCC(=O)O)Cl

Isomeric SMILES

CC1=CC(=CC(=C1C#N)SCC(=O)O)Cl

InChI

InChI=1S/C10H8ClNO2S/c1-6-2-7(11)3-9(8(6)4-12)15-5-10(13)14/h2-3H,5H2,1H3,(H,13,14)