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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-isopropyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-isopropyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S/c1-9(2)13-15-16-14(20-8-12(18)19)17(13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H,18,19)