1-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C15H15F3N6O4S MolecularWeight: 432.37761

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC1=CC=CC=C1C(F)(F)F)N2C=C(C(=N2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NNC(=S)NC1=CC=CC=C1C(F)(F)F)N2C=C(C(=N2)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H15F3N6O4S/c1-8(23-7-11(24(26)27)13(22-23)28-2)12(25)20-21-14(29)19-10-6-4-3-5-9(10)15(16,17)18/h3-8H,1-2H3,(H,20,25)(H2,19,21,29)