2-[[4-(2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]-1,2-diphenyl-ethanone

Systemtic Name: 2-[[4-(2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]-1,2-diphenyl-ethanone Openeye Name: 2-[[4-(o-tolyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]-1,2-diphenyl-ethanone CAS Name: 2-[[4-(2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]thio]-1,2-diphenylethanone IUPAC Name: 2-[[4-(2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]-1,2-diphenylethanone Traditional Name: 2-[[4-(o-tolyl)-5,6,7,8-tetrahydroquinazolin-2-yl]thio]-1,2-diphenyl-ethanone Formula: C29H26N2OS MolecularWeight: 450.59454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3CCCCC3=NC(=N2)SC(C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=C3CCCCC3=NC(=N2)SC(C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H26N2OS/c1-20-12-8-9-17-23(20)26-24-18-10-11-19-25(24)30-29(31-26)33-28(22-15-6-3-7-16-22)27(32)21-13-4-2-5-14-21/h2-9,12-17,28H,10-11,18-19H2,1H3