3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanoic acid

Systemtic Name: 3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanoic acid Openeye Name: 3-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)propanoic acid CAS Name: 3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanoic acid IUPAC Name: 3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanoic acid Traditional Name: 3-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)propionic acid Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=S)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)CCC(=O)O

InChI

InChI=1S/C11H11N3O2S/c15-10(16)7-6-9-12-13-11(17)14(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,17)(H,15,16)