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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)N(C)C)SCCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)N(C)C)SCCC(=O)O

InChI

InChI=1S/C14H18N4O2S/c1-10-15-16-14(21-9-8-13(19)20)18(10)12-6-4-11(5-7-12)17(2)3/h4-7H,8-9H2,1-3H3,(H,19,20)