2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[(2-keto-2-mesityl-ethyl)thio]quinazolin-4-one Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C

InChI

InChI=1S/C22H22N2O2S/c1-5-10-24-21(26)17-8-6-7-9-18(17)23-22(24)27-13-19(25)20-15(3)11-14(2)12-16(20)4/h5-9,11-12H,1,10,13H2,2-4H3