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

Systemtic Name: 6-methyl-3-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-olate Openeye Name: 6-methyl-3-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-[(3-nitrophenyl)methylthio]-1,2,4-triazin-5-olate IUPAC Name: 6-methyl-3-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-olate Traditional Name: 6-methyl-3-[(3-nitrobenzyl)thio]-1,2,4-triazin-5-olate Formula: C11H9N4O3S- MolecularWeight: 277.27916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC2=CC(=CC=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC2=CC(=CC=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C11H10N4O3S/c1-7-10(16)12-11(14-13-7)19-6-8-3-2-4-9(5-8)15(17)18/h2-5H,6H2,1H3,(H,12,14,16)/p-1