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

Systemtic Name: 2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C21H20N2O2S MolecularWeight: 364.4607

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O2S/c1-4-11-23-20(25)16-7-5-6-8-18(16)22-21(23)26-13-19(24)17-12-14(2)9-10-15(17)3/h4-10,12H,1,11,13H2,2-3H3