2-[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methylsulfanyl]-7-chloranyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methylsulfanyl]-7-chloranyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-2-[[1-(difluoromethyl)-2-benzimidazolyl]methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methylthio]quinazolin-4-one Formula: C20H15ClF2N4OS MolecularWeight: 432.874106

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC4=CC=CC=C4N3C(F)F

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC4=CC=CC=C4N3C(F)F

InChI

InChI=1S/C20H15ClF2N4OS/c1-2-9-26-18(28)13-8-7-12(21)10-15(13)25-20(26)29-11-17-24-14-5-3-4-6-16(14)27(17)19(22)23/h2-8,10,19H,1,9,11H2