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

Systemtic Name: 1-[1-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]piperidin-4-yl]thiourea Openeye Name: [1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]-4-piperidyl]thiourea CAS Name: [1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitrophenyl]-4-piperidinyl]thiourea IUPAC Name: [1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitrophenyl]piperidin-4-yl]thiourea Traditional Name: [1-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]-4-piperidyl]thiourea Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCC(CC3)NC(=S)N)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCC(CC3)NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O3S/c1-10-8-15(24)20-21-16(10)11-2-3-13(14(9-11)23(25)26)22-6-4-12(5-7-22)19-17(18)27/h2-3,9-10,12H,4-8H2,1H3,(H,20,24)(H3,18,19,27)