5-phenyl-1H-1,2,4-triazol-3-amine; sulfuric acid

Systemtic Name: 5-phenyl-1H-1,2,4-triazol-3-amine; sulfuric acid Openeye Name: 5-phenyl-1H-1,2,4-triazol-3-amine; sulfuric acid CAS Name: 5-phenyl-1H-1,2,4-triazol-3-amine; sulfuric acid IUPAC Name: 5-phenyl-1H-1,2,4-triazol-3-amine; sulfuric acid Traditional Name: (5-phenyl-1H-1,2,4-triazol-3-yl)amine; sulfuric acid Formula: C16H18N8O4S MolecularWeight: 418.43032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)N.C1=CC=C(C=C1)C2=NC(=NN2)N.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)N.C1=CC=C(C=C1)C2=NC(=NN2)N.OS(=O)(=O)O

InChI

InChI=1S/2C8H8N4.H2O4S/c2*9-8-10-7(11-12-8)6-4-2-1-3-5-6;1-5(2,3)4/h2*1-5H,(H3,9,10,11,12);(H2,1,2,3,4)