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

Systemtic Name: methyl N'-[3-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propyl]carbamimidothioate Openeye Name: 2-methyl-3-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propyl]isothiourea CAS Name: N'-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propyl]carbamimidothioate Traditional Name: 3-[3-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propyl]-2-methyl-isothiourea Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4OS/c1-11-10-14(21)19-20-15(11)13-7-5-12(6-8-13)4-3-9-18-16(17)22-2/h5-8,11H,3-4,9-10H2,1-2H3,(H2,17,18)(H,19,21)