3-[4-[4-(methylsulfanyliminomethylidene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one

Systemtic Name: 3-[4-[4-(methylsulfanyliminomethylidene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one Openeye Name: 3-[4-[4-(methylsulfanyliminomethylene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one CAS Name: N-[[4-[2-nitro-4-(6-oxo-2,5-dihydro-1H-1,2,4-triazin-3-yl)phenyl]-1-piperazin-1-iumylidene]methylidene]methanesulfenamide IUPAC Name: 3-[4-[4-(methylsulfanyliminomethylidene)piperazin-4-ium-1-yl]-3-nitrophenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one Traditional Name: 3-[4-[4-[(methylthio)iminomethylene]piperazin-4-ium-1-yl]-3-nitro-phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one Formula: C15H18N7O3S+ MolecularWeight: 376.41352

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Descriptors Computed from Structure

Canonical SMILES:

CSN=C=[N+]1CCN(CC1)C2=C(C=C(C=C2)C3=NCC(=O)NN3)[N+](=O)[O-]

Isomeric SMILES

CSN=C=[N+]1CCN(CC1)C2=C(C=C(C=C2)C3=NCC(=O)NN3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N7O3S/c1-26-17-10-20-4-6-21(7-5-20)12-3-2-11(8-13(12)22(24)25)15-16-9-14(23)18-19-15/h2-3,8H,4-7,9H2,1H3,(H-,16,18,19,23)/p+1