methyl N'-[3-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]propyl]carbamimidothioate

Systemtic Name: methyl N'-[3-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]propyl]carbamimidothioate Openeye Name: 2-methyl-3-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]propyl]isothiourea CAS Name: N'-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitrophenyl]propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitrophenyl]propyl]carbamimidothioate Traditional Name: 3-[3-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]propyl]-2-methyl-isothiourea Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)CCCN=C(N)SC)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)CCCN=C(N)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O3S/c1-10-8-14(22)19-20-15(10)12-6-5-11(13(9-12)21(23)24)4-3-7-18-16(17)25-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,17,18)(H,19,22)