2-[1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one Openeye Name: 2-[2-oxo-1,2-bis(p-tolyl)ethyl]sulfanyl-3-(p-tolyl)quinazolin-4-one CAS Name: 2-[[1,2-bis(4-methylphenyl)-2-oxoethyl]thio]-3-(4-methylphenyl)-4-quinazolinone IUPAC Name: 2-[1,2-bis(4-methylphenyl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one Traditional Name: 2-[[2-keto-1,2-bis(p-tolyl)ethyl]thio]-3-(p-tolyl)quinazolin-4-one Formula: C31H26N2O2S MolecularWeight: 490.61534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C

InChI

InChI=1S/C31H26N2O2S/c1-20-8-14-23(15-9-20)28(34)29(24-16-10-21(2)11-17-24)36-31-32-27-7-5-4-6-26(27)30(35)33(31)25-18-12-22(3)13-19-25/h4-19,29H,1-3H3