2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-7-(trifluoromethyl)-1H-quinazolin-4-one

Systemtic Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Openeye Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-7-(trifluoromethyl)-1H-quinazolin-4-one CAS Name: 2-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one IUPAC Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Traditional Name: 2-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Formula: C18H13F3N4OS MolecularWeight: 390.38223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C18H13F3N4OS/c1-9-2-5-12-14(6-9)24-17(23-12)27-8-15-22-13-7-10(18(19,20)21)3-4-11(13)16(26)25-15/h2-7H,8H2,1H3,(H,23,24)(H,22,25,26)