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

Systemtic Name: 3-[4-[4-(azanylidenemethylidene)piperazin-4-ium-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one; methanethiol Openeye Name: 3-[4-[4-(iminomethylene)piperazin-4-ium-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one; methanethiol CAS Name: 3-[4-[4-(iminomethylidene)-1-piperazin-4-iumyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one; methanethiol IUPAC Name: 3-[4-[4-(iminomethylidene)piperazin-4-ium-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one; methanethiol Traditional Name: 3-[4-[4-(iminomethylene)piperazin-4-ium-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one; methanethiol Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O.CH4S/c1-12-10-15(22)18-19-16(12)13-2-4-14(5-3-13)21-8-6-20(11-17)7-9-21;1-2/h2-5,12,17H,6-10H2,1H3;2H,1H3/p+1