2-[1-[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]ethylsulfanyl]-3-butyl-quinazolin-4-one

Systemtic Name: 2-[1-[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]ethylsulfanyl]-3-butyl-quinazolin-4-one Openeye Name: 3-butyl-2-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethylsulfanyl]quinazolin-4-one CAS Name: 3-butyl-2-[1-[1-(difluoromethyl)-2-benzimidazolyl]ethylthio]-4-quinazolinone IUPAC Name: 3-butyl-2-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethylsulfanyl]quinazolin-4-one Traditional Name: 3-butyl-2-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethylthio]quinazolin-4-one Formula: C22H22F2N4OS MolecularWeight: 428.498086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C3=NC4=CC=CC=C4N3C(F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C3=NC4=CC=CC=C4N3C(F)F

InChI

InChI=1S/C22H22F2N4OS/c1-3-4-13-27-20(29)15-9-5-6-10-16(15)26-22(27)30-14(2)19-25-17-11-7-8-12-18(17)28(19)21(23)24/h5-12,14,21H,3-4,13H2,1-2H3