1-methoxy-1-methyl-3-[4-[4-nitro-5-(trifluoromethyl)pyridazin-3-yl]sulfanylphenyl]urea

Systemtic Name: 1-methoxy-1-methyl-3-[4-[4-nitro-5-(trifluoromethyl)pyridazin-3-yl]sulfanylphenyl]urea Openeye Name: 1-methoxy-1-methyl-3-[4-[4-nitro-5-(trifluoromethyl)pyridazin-3-yl]sulfanylphenyl]urea CAS Name: 1-methoxy-1-methyl-3-[4-[[4-nitro-5-(trifluoromethyl)-3-pyridazinyl]thio]phenyl]urea IUPAC Name: 1-methoxy-1-methyl-3-[4-[4-nitro-5-(trifluoromethyl)pyridazin-3-yl]sulfanylphenyl]urea Traditional Name: 1-methoxy-1-methyl-3-[4-[[4-nitro-5-(trifluoromethyl)pyridazin-3-yl]thio]phenyl]urea Formula: C14H12F3N5O4S MolecularWeight: 403.33639

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)NC1=CC=C(C=C1)SC2=C(C(=CN=N2)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

CN(C(=O)NC1=CC=C(C=C1)SC2=C(C(=CN=N2)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C14H12F3N5O4S/c1-21(26-2)13(23)19-8-3-5-9(6-4-8)27-12-11(22(24)25)10(7-18-20-12)14(15,16)17/h3-7H,1-2H3,(H,19,23)