4-isothiocyanato-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one

Systemtic Name: 4-isothiocyanato-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one Openeye Name: 4-isothiocyanato-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one CAS Name: 4-isothiocyanato-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one IUPAC Name: 4-isothiocyanato-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one Traditional Name: 5-isothiocyanato-2-phenyl-5-(trifluoromethyl)-2-imidazolin-4-one Formula: C11H6F3N3OS MolecularWeight: 285.24505

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N2)(C(F)(F)F)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N2)(C(F)(F)F)N=C=S

InChI

InChI=1S/C11H6F3N3OS/c12-11(13,14)10(15-6-19)9(18)16-8(17-10)7-4-2-1-3-5-7/h1-5H,(H,16,17,18)