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

Systemtic Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid Openeye Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoic acid CAS Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid IUPAC Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid Traditional Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)O

InChI

InChI=1S/C12H13N3O3S/c1-18-9-4-2-8(3-5-9)11-13-14-12(19)15(11)7-6-10(16)17/h2-5H,6-7H2,1H3,(H,14,19)(H,16,17)