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

Systemtic Name: 2-[[4-(3,5-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3,5-dimethylphenyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3,5-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3,5-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3,5-dimethylphenyl)-5-isopropyl-1,2,4-triazol-3-yl]thio]acetate Formula: C15H18N3O2S- MolecularWeight: 304.38732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=NN=C2SCC(=O)[O-])C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=NN=C2SCC(=O)[O-])C(C)C)C

InChI

InChI=1S/C15H19N3O2S/c1-9(2)14-16-17-15(21-8-13(19)20)18(14)12-6-10(3)5-11(4)7-12/h5-7,9H,8H2,1-4H3,(H,19,20)/p-1