2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C22H17ClN2O3S MolecularWeight: 424.89998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C(=O)N3CC=C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C(=O)N3CC=C)Cl

InChI

InChI=1S/C22H17ClN2O3S/c1-3-8-25-21(27)15-6-4-5-7-18(15)24-22(25)29-12-14-10-20(26)28-19-9-13(2)17(23)11-16(14)19/h3-7,9-11H,1,8,12H2,2H3