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

Systemtic Name: 3-[[4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-(3,4-dimethylphenyl)-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:

CC1=C(C=C(C=C1)N2C(=NN=C2SCCC(=O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCCC(=O)O)C)C

InChI

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