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

Systemtic Name: 2-[[4-(4-chloranyl-2-methoxy-5-methyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-chloro-2-methoxy-5-methyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-chloro-2-methoxy-5-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-chloro-2-methoxy-5-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-chloro-2-methoxy-5-methyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C13H13ClN3O3S- MolecularWeight: 326.77862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O3S/c1-7-4-10(11(20-3)5-9(7)14)17-8(2)15-16-13(17)21-6-12(18)19/h4-5H,6H2,1-3H3,(H,18,19)/p-1