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

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetate Formula: C11H10N3O2S- MolecularWeight: 248.281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)[O-]

InChI

InChI=1S/C11H11N3O2S/c1-7-3-2-4-8(5-7)10-12-13-11(17)14(10)6-9(15)16/h2-5H,6H2,1H3,(H,13,17)(H,15,16)/p-1