2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-[(4-methylphenyl)methyl]quinazolin-4-one

Systemtic Name: 2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-[(4-methylphenyl)methyl]quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-3-[(4-methylphenyl)methyl]-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-3-[(4-methylphenyl)methyl]quinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]-3-(4-methylbenzyl)quinazolin-4-one Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C26H24N2O2S/c1-17-9-12-20(13-10-17)15-28-25(30)21-6-4-5-7-23(21)27-26(28)31-16-24(29)22-14-18(2)8-11-19(22)3/h4-14H,15-16H2,1-3H3