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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)O

InChI

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