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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2(CCN(C(C2)[N+](=O)[O-])C3=CC=CC=C3)NC(=S)N

Isomeric SMILES

CC1CC(=O)NN=C1C2(CCN(C(C2)[N+](=O)[O-])C3=CC=CC=C3)NC(=S)N

InChI

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