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

Systemtic Name: 3-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H12N4O2S/c1-17-12(10-4-2-3-9(7-10)8-14)15-16-13(17)20-6-5-11(18)19/h2-4,7H,5-6H2,1H3,(H,18,19)