2-[(2-chloranyl-7-methoxy-quinolin-3-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[(2-chloranyl-7-methoxy-quinolin-3-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(2-chloro-7-methoxy-3-quinolyl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(2-chloro-7-methoxy-3-quinolinyl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(2-chloro-7-methoxyquinolin-3-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[(2-chloro-7-methoxy-3-quinolyl)methylthio]quinazolin-4-one Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)CSC3=NC4=CC=CC=C4C(=O)N3CC=C)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)CSC3=NC4=CC=CC=C4C(=O)N3CC=C)Cl

InChI

InChI=1S/C22H18ClN3O2S/c1-3-10-26-21(27)17-6-4-5-7-18(17)25-22(26)29-13-15-11-14-8-9-16(28-2)12-19(14)24-20(15)23/h3-9,11-12H,1,10,13H2,2H3