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

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2,5-dimethylphenyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2,5-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2,5-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2,5-dimethylphenyl)-5-isopropyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)O)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)O)C(C)C

InChI

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