1-(3-chloranyl-4-fluoranyl-phenyl)-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[2-keto-4-(trifluoromethyl)chromen-7-yl]thiourea Formula: C17H9ClF4N2O2S MolecularWeight: 416.777173

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=S)NC3=CC(=C(C=C3)F)Cl)OC(=O)C=C2C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1NC(=S)NC3=CC(=C(C=C3)F)Cl)OC(=O)C=C2C(F)(F)F

InChI

InChI=1S/C17H9ClF4N2O2S/c18-12-5-8(2-4-13(12)19)23-16(27)24-9-1-3-10-11(17(20,21)22)7-15(25)26-14(10)6-9/h1-7H,(H2,23,24,27)