3-(phenylcarbamothioylamino)-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: 3-(phenylcarbamothioylamino)-1H-1,2,4-triazole-5-carboxylate Openeye Name: 3-(phenylcarbamothioylamino)-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-1H-1,2,4-triazole-5-carboxylate IUPAC Name: 3-(phenylcarbamothioylamino)-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-(phenylthiocarbamoylamino)-1H-1,2,4-triazole-5-carboxylate Formula: C10H8N5O2S- MolecularWeight: 262.26782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=NNC(=N2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=NNC(=N2)C(=O)[O-]

InChI

InChI=1S/C10H9N5O2S/c16-8(17)7-12-9(15-14-7)13-10(18)11-6-4-2-1-3-5-6/h1-5H,(H,16,17)(H3,11,12,13,14,15,18)/p-1