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

Systemtic Name: methyl N-cyano-N'-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]isothiourea CAS Name: N-cyano-N'-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamimidothioate Traditional Name: 1-cyano-3-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-methyl-isothiourea Formula: C14H15N5OS MolecularWeight: 301.3668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5OS/c1-9-7-12(20)18-19-13(9)10-3-5-11(6-4-10)17-14(21-2)16-8-15/h3-6,9H,7H2,1-2H3,(H,16,17)(H,18,20)