2-(3aH-benzimidazol-2-ylsulfanylmethyl)-3-(2,3-dimethylphenyl)quinazolin-4-one

Systemtic Name: 2-(3aH-benzimidazol-2-ylsulfanylmethyl)-3-(2,3-dimethylphenyl)quinazolin-4-one Openeye Name: 2-(3aH-benzimidazol-2-ylsulfanylmethyl)-3-(2,3-dimethylphenyl)quinazolin-4-one CAS Name: 2-[(3aH-benzimidazol-2-ylthio)methyl]-3-(2,3-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-(3aH-benzimidazol-2-ylsulfanylmethyl)-3-(2,3-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[(3aH-benzimidazol-2-ylthio)methyl]-3-(2,3-dimethylphenyl)quinazolin-4-one Formula: C24H20N4OS MolecularWeight: 412.5068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC5C=CC=CC5=N4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC5C=CC=CC5=N4)C

InChI

InChI=1S/C24H20N4OS/c1-15-8-7-13-21(16(15)2)28-22(25-18-10-4-3-9-17(18)23(28)29)14-30-24-26-19-11-5-6-12-20(19)27-24/h3-13,19H,14H2,1-2H3