2-[[4-(3-methylsulfanylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(3-methylsulfanylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-isopropyl-4-(3-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[3-(methylthio)phenyl]-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-methylsulfanylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-isopropyl-4-[3-(methylthio)phenyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C14H16N3O2S2- MolecularWeight: 322.42574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=CC(=CC=C2)SC)SCC(=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1C2=CC(=CC=C2)SC)SCC(=O)[O-]

InChI

InChI=1S/C14H17N3O2S2/c1-9(2)13-15-16-14(21-8-12(18)19)17(13)10-5-4-6-11(7-10)20-3/h4-7,9H,8H2,1-3H3,(H,18,19)/p-1