6-bromanyl-2-[(E)-2-(5-chloranylthiophen-2-yl)-1-cyano-ethenyl]quinazolin-4-olate

Systemtic Name: 6-bromanyl-2-[(E)-2-(5-chloranylthiophen-2-yl)-1-cyano-ethenyl]quinazolin-4-olate Openeye Name: 6-bromo-2-[(E)-2-(5-chloro-2-thienyl)-1-cyano-vinyl]quinazolin-4-olate CAS Name: 6-bromo-2-[(E)-2-(5-chloro-2-thiophenyl)-1-cyanoethenyl]-4-quinazolinolate IUPAC Name: 6-bromo-2-[(E)-2-(5-chlorothiophen-2-yl)-1-cyanoethenyl]quinazolin-4-olate Traditional Name: 6-bromo-2-[(E)-2-(5-chloro-2-thienyl)-1-cyano-vinyl]quinazolin-4-olate Formula: C15H6BrClN3OS- MolecularWeight: 391.64964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=NC(=N2)C(=CC3=CC=C(S3)Cl)C#N)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=NC(=N2)/C(=C/C3=CC=C(S3)Cl)/C#N)[O-]

InChI

InChI=1S/C15H7BrClN3OS/c16-9-1-3-12-11(6-9)15(21)20-14(19-12)8(7-18)5-10-2-4-13(17)22-10/h1-6H,(H,19,20,21)/p-1/b8-5+