1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-chloranyl-4-nitro-phenyl)thiourea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-chloranyl-4-nitro-phenyl)thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-chloro-4-nitro-phenyl)thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-chloro-4-nitrophenyl)thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-chloro-4-nitrophenyl)thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-chloro-4-nitro-phenyl)thiourea Formula: C15H8ClF6N3O2S MolecularWeight: 443.751339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H8ClF6N3O2S/c16-11-6-10(25(26)27)1-2-12(11)24-13(28)23-9-4-7(14(17,18)19)3-8(5-9)15(20,21)22/h1-6H,(H2,23,24,28)