3-[(5-chloranyl-2-methyl-phenyl)carbamothioylsulfanyl]propanoic acid

Systemtic Name: 3-[(5-chloranyl-2-methyl-phenyl)carbamothioylsulfanyl]propanoic acid Openeye Name: 3-[(5-chloro-2-methyl-phenyl)carbamothioylsulfanyl]propanoic acid CAS Name: 3-[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 3-[(5-chloro-2-methylphenyl)carbamothioylsulfanyl]propanoic acid Traditional Name: 3-[(5-chloro-2-methyl-phenyl)thiocarbamoylthio]propionic acid Formula: C11H12ClNO2S2 MolecularWeight: 289.80148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)SCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)SCCC(=O)O

InChI

InChI=1S/C11H12ClNO2S2/c1-7-2-3-8(12)6-9(7)13-11(16)17-5-4-10(14)15/h2-3,6H,4-5H2,1H3,(H,13,16)(H,14,15)