(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-[5-(4-fluorophenyl)-2-thienyl]prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-[5-(4-fluorophenyl)-2-thiophenyl]-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-[5-(4-fluorophenyl)-2-thienyl]acrylonitrile Formula: C21H11BrFN3OS MolecularWeight: 452.298943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(S2)C=C(C#N)C3=NC(=O)C4=C(N3)C=CC(=C4)Br)F

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(S2)/C=C(\C#N)/C3=NC(=O)C4=C(N3)C=CC(=C4)Br)F

InChI

InChI=1S/C21H11BrFN3OS/c22-14-3-7-18-17(10-14)21(27)26-20(25-18)13(11-24)9-16-6-8-19(28-16)12-1-4-15(23)5-2-12/h1-10H,(H,25,26,27)/b13-9+