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

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C16H11F6N3O3S MolecularWeight: 439.332259

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H11F6N3O3S/c1-28-13-7-11(25(26)27)2-3-12(13)24-14(29)23-10-5-8(15(17,18)19)4-9(6-10)16(20,21)22/h2-7H,1H3,(H2,23,24,29)