2-[1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[2-(2,5-dimethylphenyl)-2-keto-1-methyl-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)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

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