1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[3-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-nitrophenyl)thiourea Formula: C15H16F3N5O2S MolecularWeight: 387.38005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CCCNC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H16F3N5O2S/c1-10-8-13(15(16,17)18)21-22(10)7-3-6-19-14(26)20-11-4-2-5-12(9-11)23(24)25/h2,4-5,8-9H,3,6-7H2,1H3,(H2,19,20,26)