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

Systemtic Name: 2-[[4-(3,5-dimethylphenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3,5-dimethylphenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3,5-dimethylphenyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3,5-dimethylphenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3,5-dimethylphenyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC(=CC(=C2)C)C)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1C2=CC(=CC(=C2)C)C)SCC(=O)O

InChI

InChI=1S/C15H19N3O2S/c1-4-5-13-16-17-15(21-9-14(19)20)18(13)12-7-10(2)6-11(3)8-12/h6-8H,4-5,9H2,1-3H3,(H,19,20)