1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-nitrophenyl)thiourea Formula: C15H9F6N3O2S MolecularWeight: 409.306279

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H9F6N3O2S/c16-14(17,18)8-4-9(15(19,20)21)6-11(5-8)23-13(27)22-10-2-1-3-12(7-10)24(25)26/h1-7H,(H2,22,23,27)