9-methyl-3-[[5-propyl-1-(triphenylmethyl)imidazol-4-yl]methyl]thiopyrano[2,3-b]indol-4-one

Systemtic Name: 9-methyl-3-[[5-propyl-1-(triphenylmethyl)imidazol-4-yl]methyl]thiopyrano[2,3-b]indol-4-one Openeye Name: 9-methyl-3-[(5-propyl-1-trityl-imidazol-4-yl)methyl]thiopyrano[2,3-b]indol-4-one CAS Name: 9-methyl-3-[[5-propyl-1-(triphenylmethyl)-4-imidazolyl]methyl]-4-thiopyrano[2,3-b]indolone IUPAC Name: 9-methyl-3-[(5-propyl-1-tritylimidazol-4-yl)methyl]thiopyrano[2,3-b]indol-4-one Traditional Name: 9-methyl-3-[(5-propyl-1-trityl-imidazol-4-yl)methyl]thiopyran[2,3-b]indol-4-one Formula: C38H33N3OS MolecularWeight: 579.75312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CSC6=C(C5=O)C7=CC=CC=C7N6C

Isomeric SMILES

CCCC1=C(N=CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CSC6=C(C5=O)C7=CC=CC=C7N6C

InChI

InChI=1S/C38H33N3OS/c1-3-15-34-32(24-27-25-43-37-35(36(27)42)31-22-13-14-23-33(31)40(37)2)39-26-41(34)38(28-16-7-4-8-17-28,29-18-9-5-10-19-29)30-20-11-6-12-21-30/h4-14,16-23,25-26H,3,15,24H2,1-2H3