4-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate

Systemtic Name: 4-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Openeye Name: 4-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoate CAS Name: 4-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate IUPAC Name: 4-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoate Formula: C10H8N3O2S- MolecularWeight: 234.25442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=NNC(=S)N1C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C10H9N3O2S/c1-6-11-12-10(16)13(6)8-4-2-7(3-5-8)9(14)15/h2-5H,1H3,(H,12,16)(H,14,15)/p-1