2-[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[1-(difluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[[1-(difluoromethyl)-2-benzimidazolyl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[1-(difluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[[1-(difluoromethyl)benzimidazol-2-yl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C19H16F2N4O3S MolecularWeight: 418.417146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4N3C(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4N3C(F)F)OC

InChI

InChI=1S/C19H16F2N4O3S/c1-27-14-7-10-12(8-15(14)28-2)22-16(24-17(10)26)9-29-19-23-11-5-3-4-6-13(11)25(19)18(20)21/h3-8,18H,9H2,1-2H3,(H,22,24,26)