3-(2-azaniumylethylsulfanyl)-6-[(2-nitrophenyl)methyl]-1,2,4-triazin-5-olate

Systemtic Name: 3-(2-azaniumylethylsulfanyl)-6-[(2-nitrophenyl)methyl]-1,2,4-triazin-5-olate Openeye Name: 3-(2-azaniumylethylsulfanyl)-6-[(2-nitrophenyl)methyl]-1,2,4-triazin-5-olate CAS Name: 3-(2-ammonioethylthio)-6-[(2-nitrophenyl)methyl]-1,2,4-triazin-5-olate IUPAC Name: 3-(2-azaniumylethylsulfanyl)-6-[(2-nitrophenyl)methyl]-1,2,4-triazin-5-olate Traditional Name: 3-(2-ammonioethylthio)-6-(2-nitrobenzyl)-1,2,4-triazin-5-olate Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=C(N=C(N=N2)SCC[NH3+])[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC2=C(N=C(N=N2)SCC[NH3+])[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O3S/c13-5-6-21-12-14-11(18)9(15-16-12)7-8-3-1-2-4-10(8)17(19)20/h1-4H,5-7,13H2,(H,14,16,18)