1-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-3-(4-nitrophenyl)thiourea Formula: C13H9ClF3N5O2S MolecularWeight: 391.75607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H9ClF3N5O2S/c14-10-5-7(13(15,16)17)6-18-11(10)20-21-12(25)19-8-1-3-9(4-2-8)22(23)24/h1-6H,(H,18,20)(H2,19,21,25)