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

Systemtic Name: 3-[4-[4-(azanylidenemethylidene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one; methanethiol Openeye Name: 3-[4-[4-(iminomethylene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one; methanethiol CAS Name: 3-[4-[4-(iminomethylidene)-1-piperazin-4-iumyl]-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one; methanethiol IUPAC Name: 3-[4-[4-(iminomethylidene)piperazin-4-ium-1-yl]-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one; methanethiol Traditional Name: 3-[4-[4-(iminomethylene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one; methanethiol Formula: C17H23N6O3S+ MolecularWeight: 391.46792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CC[N+](=C=N)CC3)[N+](=O)[O-].CS

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CC[N+](=C=N)CC3)[N+](=O)[O-].CS

InChI

InChI=1S/C16H18N6O3.CH4S/c1-11-8-15(23)18-19-16(11)12-2-3-13(14(9-12)22(24)25)21-6-4-20(10-17)5-7-21;1-2/h2-3,9,11,17H,4-8H2,1H3;2H,1H3/p+1