sodium 5-(phenylmethyl)-1H-1,2,4-triazole-3-thiolate

Systemtic Name: sodium 5-(phenylmethyl)-1H-1,2,4-triazole-3-thiolate Openeye Name: sodium 5-benzyl-1H-1,2,4-triazole-3-thiolate CAS Name: sodium 5-(phenylmethyl)-1H-1,2,4-triazole-3-thiolate IUPAC Name: sodium 5-benzyl-1H-1,2,4-triazole-3-thiolate Traditional Name: sodium 5-benzyl-1H-1,2,4-triazole-3-thiolate Formula: C9H8N3NaS MolecularWeight: 213.23469

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=NN2)[S-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NN2)[S-].[Na+]

InChI

InChI=1S/C9H9N3S.Na/c13-9-10-8(11-12-9)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H2,10,11,12,13);/q;+1/p-1