3-(2,3-dimethylphenyl)-2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]quinazolin-4-one

Systemtic Name: 3-(2,3-dimethylphenyl)-2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 3-(2,3-dimethylphenyl)-2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]quinazolin-4-one CAS Name: 3-(2,3-dimethylphenyl)-2-[[(1-methyl-2-benzimidazolyl)thio]methyl]-4-quinazolinone IUPAC Name: 3-(2,3-dimethylphenyl)-2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 3-(2,3-dimethylphenyl)-2-[[(1-methylbenzimidazol-2-yl)thio]methyl]quinazolin-4-one Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC5=CC=CC=C5N4C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC5=CC=CC=C5N4C)C

InChI

InChI=1S/C25H22N4OS/c1-16-9-8-14-21(17(16)2)29-23(26-19-11-5-4-10-18(19)24(29)30)15-31-25-27-20-12-6-7-13-22(20)28(25)3/h4-14H,15H2,1-3H3