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

Systemtic Name: 4-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Openeye Name: 4-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoate CAS Name: 4-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate IUPAC Name: 4-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoate Formula: C11H10N3O2S- MolecularWeight: 248.281

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCC1=NNC(=S)N1C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C11H11N3O2S/c1-2-9-12-13-11(17)14(9)8-5-3-7(4-6-8)10(15)16/h3-6H,2H2,1H3,(H,13,17)(H,15,16)/p-1