3-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propanoic acid

Systemtic Name: 3-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propanoic acid Openeye Name: 3-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)propanoic acid CAS Name: 3-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propanoic acid IUPAC Name: 3-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanoic acid Traditional Name: 3-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)propionic acid Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NNC2=S)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NNC2=S)CCC(=O)O

InChI

InChI=1S/C12H13N3O2S/c16-11(17)7-6-10-13-14-12(18)15(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,18)(H,16,17)