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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)C

InChI

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