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

Systemtic Name: 2-[[4-[(4-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-propyl-4-(p-tolylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-[(4-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-[(4-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-methylbenzyl)-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(N1CC2=CC=C(C=C2)C)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1CC2=CC=C(C=C2)C)SCC(=O)O

InChI

InChI=1S/C15H19N3O2S/c1-3-4-13-16-17-15(21-10-14(19)20)18(13)9-12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)