3-[4-[4-(azanylidenemethylidene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-4,5-dihydro-1H-pyridazin-6-one; methanethiol

Systemtic Name: 3-[4-[4-(azanylidenemethylidene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-4,5-dihydro-1H-pyridazin-6-one; methanethiol Openeye Name: 3-[4-[4-(iminomethylene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-4,5-dihydro-1H-pyridazin-6-one; methanethiol CAS Name: 3-[4-[4-(iminomethylidene)-1-piperazin-4-iumyl]-3-nitrophenyl]-4,5-dihydro-1H-pyridazin-6-one; methanethiol IUPAC Name: 3-[4-[4-(iminomethylidene)piperazin-4-ium-1-yl]-3-nitrophenyl]-4,5-dihydro-1H-pyridazin-6-one; methanethiol Traditional Name: 3-[4-[4-(iminomethylene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-4,5-dihydro-1H-pyridazin-6-one; methanethiol Formula: C16H21N6O3S+ MolecularWeight: 377.44134

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Descriptors Computed from Structure

Canonical SMILES:

CS.C1CC(=O)NN=C1C2=CC(=C(C=C2)N3CC[N+](=C=N)CC3)[N+](=O)[O-]

Isomeric SMILES

CS.C1CC(=O)NN=C1C2=CC(=C(C=C2)N3CC[N+](=C=N)CC3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O3.CH4S/c16-10-19-5-7-20(8-6-19)13-3-1-11(9-14(13)21(23)24)12-2-4-15(22)18-17-12;1-2/h1,3,9,16H,2,4-8H2;2H,1H3/p+1