3-(4-butan-2-ylphenyl)-2-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-2-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-2-[[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(2,4,5-trimethylphenyl)ethyl]thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C29H30N2O2S MolecularWeight: 470.6257

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC(=C(C=C4C)C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC(=C(C=C4C)C)C

InChI

InChI=1S/C29H30N2O2S/c1-6-18(2)22-11-13-23(14-12-22)31-28(33)24-9-7-8-10-26(24)30-29(31)34-17-27(32)25-16-20(4)19(3)15-21(25)5/h7-16,18H,6,17H2,1-5H3