4-azanyl-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-azanyl-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-amino-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-amino-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-amino-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-amino-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Formula: C9H9N4OS- MolecularWeight: 221.25896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NN=C(N2N)[S-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NN=C(N2N)[S-]

InChI

InChI=1S/C9H10N4OS/c10-13-8(11-12-9(13)15)6-14-7-4-2-1-3-5-7/h1-5H,6,10H2,(H,12,15)/p-1