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

Systemtic Name: 3-[[5-(4-dimethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(4-dimethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(4-dimethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-(4-dimethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(4-dimethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionate Formula: C14H17N4O2S- MolecularWeight: 305.37538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)[O-])C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)[O-])C2=CC=C(C=C2)N(C)C

InChI

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