2-[(Z)-2-(4-bromanylthiophen-2-yl)-1-chloranyl-ethenyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[(Z)-2-(4-bromanylthiophen-2-yl)-1-chloranyl-ethenyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[(Z)-2-(4-bromo-2-thienyl)-1-chloro-vinyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[(Z)-2-(4-bromo-2-thiophenyl)-1-chloroethenyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[(Z)-2-(4-bromothiophen-2-yl)-1-chloroethenyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[(Z)-2-(4-bromo-2-thienyl)-1-chloro-vinyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C16H12BrClN2O3S MolecularWeight: 427.70008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C(=CC3=CC(=CS3)Br)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)/C(=C/C3=CC(=CS3)Br)/Cl)OC

InChI

InChI=1S/C16H12BrClN2O3S/c1-22-13-5-10-12(6-14(13)23-2)19-15(20-16(10)21)11(18)4-9-3-8(17)7-24-9/h3-7H,1-2H3,(H,19,20,21)/b11-4-