methyl N'-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamimidothioate

Systemtic Name: methyl N'-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamimidothioate Openeye Name: 2-methyl-3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]isothiourea CAS Name: N'-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamimidothioate Traditional Name: 3-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-methyl-isothiourea Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC=C(C=C2)N=C(N)SC

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)N=C(N)SC

InChI

InChI=1S/C13H16N4OS/c1-8-7-11(18)16-17-12(8)9-3-5-10(6-4-9)15-13(14)19-2/h3-6,8H,7H2,1-2H3,(H2,14,15)(H,16,18)