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

Systemtic Name: 7-chloranyl-2-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-(2,5-dimethoxyphenyl)-2-oxoethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[[2-(2,5-dimethoxyphenyl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C21H19ClN2O4S MolecularWeight: 430.90456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H19ClN2O4S/c1-4-9-24-20(26)15-7-5-13(22)10-17(15)23-21(24)29-12-18(25)16-11-14(27-2)6-8-19(16)28-3/h4-8,10-11H,1,9,12H2,2-3H3