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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)O

InChI

InChI=1S/C12H13N3O2S/c1-8-3-2-4-9(7-8)11-13-14-12(18)15(11)6-5-10(16)17/h2-4,7H,5-6H2,1H3,(H,14,18)(H,16,17)