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

Systemtic Name: 2-[[5-methyl-4-(4-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-isopropoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-methyl-4-(4-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-methyl-4-(4-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-isopropoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)OC(C)C)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)OC(C)C)SCC(=O)O

InChI

InChI=1S/C14H17N3O3S/c1-9(2)20-12-6-4-11(5-7-12)17-10(3)15-16-14(17)21-8-13(18)19/h4-7,9H,8H2,1-3H3,(H,18,19)