2-[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one

Systemtic Name: 2-[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one CAS Name: 2-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]thio]-3-(2-methoxy-5-methylphenyl)-4-quinazolinone IUPAC Name: 2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-(2-methoxy-5-methylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(4-ethylphenyl)-2-keto-1-methyl-ethyl]thio]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC(=C4)C)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC(=C4)C)OC

InChI

InChI=1S/C27H26N2O3S/c1-5-19-11-13-20(14-12-19)25(30)18(3)33-27-28-22-9-7-6-8-21(22)26(31)29(27)23-16-17(2)10-15-24(23)32-4/h6-16,18H,5H2,1-4H3