2-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]-3-(3,4-dimethylphenyl)quinazolin-4-one

Systemtic Name: 2-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]-3-(3,4-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(4-bromo-2-thienyl)vinyl]-3-(3,4-dimethylphenyl)quinazolin-4-one CAS Name: 2-[(E)-2-(4-bromo-2-thiophenyl)ethenyl]-3-(3,4-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-3-(3,4-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[(E)-2-(4-bromo-2-thienyl)vinyl]-3-(3,4-dimethylphenyl)quinazolin-4-one Formula: C22H17BrN2OS MolecularWeight: 437.35218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C=CC4=CC(=CS4)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC(=CS4)Br)C

InChI

InChI=1S/C22H17BrN2OS/c1-14-7-8-17(11-15(14)2)25-21(10-9-18-12-16(23)13-27-18)24-20-6-4-3-5-19(20)22(25)26/h3-13H,1-2H3/b10-9+