2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-methyl-quinazolin-4-one

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-methyl-quinazolin-4-one Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-3-methyl-quinazolin-4-one CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-3-methyl-4-quinazolinone IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-3-methylquinazolin-4-one Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-3-methyl-quinazolin-4-one Formula: C17H13ClN2O3S MolecularWeight: 360.81472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C17H13ClN2O3S/c1-20-16(21)11-4-2-3-5-13(11)19-17(20)24-8-10-6-12(18)15-14(7-10)22-9-23-15/h2-7H,8-9H2,1H3