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

Systemtic Name: 2-[[4-(4-dimethylaminophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-dimethylaminophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-dimethylaminophenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-dimethylaminophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-dimethylaminophenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=C(C=C2)N(C)C)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1C2=CC=C(C=C2)N(C)C)SCC(=O)O

InChI

InChI=1S/C14H18N4O2S/c1-4-12-15-16-14(21-9-13(19)20)18(12)11-7-5-10(6-8-11)17(2)3/h5-8H,4,9H2,1-3H3,(H,19,20)