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

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoate Openeye Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoate CAS Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoate IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoate Traditional Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionate Formula: C12H12N3O2S- MolecularWeight: 262.30758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)[O-]

InChI

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