3-[[4-(4-ethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[4-(4-ethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-(4-ethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-(4-ethylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-(4-ethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-(4-ethylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)C

InChI

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