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

Systemtic Name: 1-[3-[[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]amino]propyl]thiourea Openeye Name: 3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-anilino]propylthiourea CAS Name: 3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitroanilino]propylthiourea IUPAC Name: 3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitroanilino]propylthiourea Traditional Name: 3-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-anilino]propylthiourea Formula: C15H20N6O3S MolecularWeight: 364.4227

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)NCCCNC(=S)N)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)NCCCNC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C15H20N6O3S/c1-9-7-13(22)19-20-14(9)10-3-4-11(12(8-10)21(23)24)17-5-2-6-18-15(16)25/h3-4,8-9,17H,2,5-7H2,1H3,(H,19,22)(H3,16,18,25)