2-[[4-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-chloro-2-methoxy-5-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-chloro-2-methoxy-5-methyl-phenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H12ClN3O3S MolecularWeight: 313.75998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)N2C=NN=C2SCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)N2C=NN=C2SCC(=O)O

InChI

InChI=1S/C12H12ClN3O3S/c1-7-3-9(10(19-2)4-8(7)13)16-6-14-15-12(16)20-5-11(17)18/h3-4,6H,5H2,1-2H3,(H,17,18)