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

Systemtic Name: 6-chloranyl-2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-chloro-2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C21H19ClN2O2S MolecularWeight: 398.90576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H19ClN2O2S/c1-4-9-24-20(26)17-11-15(22)7-8-18(17)23-21(24)27-12-19(25)16-10-13(2)5-6-14(16)3/h4-8,10-11H,1,9,12H2,2-3H3