2-[(6-azanyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-[(6-azanyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-[(6-amino-1H-benzimidazol-2-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[[(6-amino-1H-benzimidazol-2-yl)thio]methyl]-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-[(6-amino-1H-benzimidazol-2-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[[(6-amino-1H-benzimidazol-2-yl)thio]methyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C23H16F3N5OS MolecularWeight: 467.46625

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=C(N3)C=C(C=C4)N)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=C(N3)C=C(C=C4)N)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C23H16F3N5OS/c24-23(25,26)13-4-3-5-15(10-13)31-20(28-17-7-2-1-6-16(17)21(31)32)12-33-22-29-18-9-8-14(27)11-19(18)30-22/h1-11H,12,27H2,(H,29,30)