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

Systemtic Name: 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[3-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]propyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-nitrophenyl)thiourea Formula: C17H18F3N5O2S MolecularWeight: 413.41733

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2CCCNC(=S)NC3=CC(=CC=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1CC1C2=CC(=NN2CCCNC(=S)NC3=CC(=CC=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H18F3N5O2S/c18-17(19,20)15-10-14(11-5-6-11)24(23-15)8-2-7-21-16(28)22-12-3-1-4-13(9-12)25(26)27/h1,3-4,9-11H,2,5-8H2,(H2,21,22,28)