diethylazanium; 6-phenyl-3-sulfanylidene-2H-1,2,4-triazin-5-olate

Systemtic Name: diethylazanium; 6-phenyl-3-sulfanylidene-2H-1,2,4-triazin-5-olate Openeye Name: diethylammonium; 6-phenyl-3-thioxo-2H-1,2,4-triazin-5-olate CAS Name: diethylammonium; 6-phenyl-3-sulfanylidene-2H-1,2,4-triazin-5-olate IUPAC Name: diethylazanium; 6-phenyl-3-sulfanylidene-2H-1,2,4-triazin-5-olate Traditional Name: diethylammonium; 6-phenyl-3-thioxo-2H-1,2,4-triazin-5-olate Formula: C13H18N4OS MolecularWeight: 278.37322

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC.C1=CC=C(C=C1)C2=NNC(=S)N=C2[O-]

Isomeric SMILES

CC[NH2+]CC.C1=CC=C(C=C1)C2=NNC(=S)N=C2[O-]

InChI

InChI=1S/C9H7N3OS.C4H11N/c13-8-7(11-12-9(14)10-8)6-4-2-1-3-5-6;1-3-5-4-2/h1-5H,(H2,10,12,13,14);5H,3-4H2,1-2H3