1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-oxidanylidene-1H-2-benzofuran-5-yl)thiourea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-oxidanylidene-1H-2-benzofuran-5-yl)thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-oxo-1H-isobenzofuran-5-yl)thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-oxo-1H-isobenzofuran-5-yl)thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-oxo-1H-2-benzofuran-5-yl)thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-ketophthalan-5-yl)thiourea Formula: C17H10F6N2O2S MolecularWeight: 420.328919

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)O1

Isomeric SMILES

C1C2=C(C=C(C=C2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)O1

InChI

InChI=1S/C17H10F6N2O2S/c18-16(19,20)9-3-10(17(21,22)23)5-12(4-9)25-15(28)24-11-2-1-8-7-27-14(26)13(8)6-11/h1-6H,7H2,(H2,24,25,28)