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

Systemtic Name: 2-[[4-(3-chloranyl-4-methyl-phenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3-chloro-4-methyl-phenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-chloro-4-methylphenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-chloro-4-methylphenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-chloro-4-methyl-phenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C13H13ClN3O2S- MolecularWeight: 310.77922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC(=C(C=C2)C)Cl)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C2=CC(=C(C=C2)C)Cl)SCC(=O)[O-]

InChI

InChI=1S/C13H14ClN3O2S/c1-3-11-15-16-13(20-7-12(18)19)17(11)9-5-4-8(2)10(14)6-9/h4-6H,3,7H2,1-2H3,(H,18,19)/p-1