2-phenyl-3-[4-(2,2,4-trimethyl-3H-thiochromen-4-yl)phenyl]quinazolin-4-one

Systemtic Name: 2-phenyl-3-[4-(2,2,4-trimethyl-3H-thiochromen-4-yl)phenyl]quinazolin-4-one Openeye Name: 2-phenyl-3-[4-(2,2,4-trimethylthiochroman-4-yl)phenyl]quinazolin-4-one CAS Name: 2-phenyl-3-[4-(2,2,4-trimethyl-3H-1-benzothiopyran-4-yl)phenyl]-4-quinazolinone IUPAC Name: 2-phenyl-3-[4-(2,2,4-trimethyl-3H-thiochromen-4-yl)phenyl]quinazolin-4-one Traditional Name: 2-phenyl-3-[4-(2,2,4-trimethylthiochroman-4-yl)phenyl]quinazolin-4-one Formula: C32H28N2OS MolecularWeight: 488.64252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC=CC=C2S1)(C)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1(CC(C2=CC=CC=C2S1)(C)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6)C

InChI

InChI=1S/C32H28N2OS/c1-31(2)21-32(3,26-14-8-10-16-28(26)36-31)23-17-19-24(20-18-23)34-29(22-11-5-4-6-12-22)33-27-15-9-7-13-25(27)30(34)35/h4-20H,21H2,1-3H3