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

Systemtic Name: 9-methyl-3-[[5-methyl-1-(triphenylmethyl)imidazol-4-yl]methyl]thiopyrano[2,3-b]indol-4-one Openeye Name: 9-methyl-3-[(5-methyl-1-trityl-imidazol-4-yl)methyl]thiopyrano[2,3-b]indol-4-one CAS Name: 9-methyl-3-[[5-methyl-1-(triphenylmethyl)-4-imidazolyl]methyl]-4-thiopyrano[2,3-b]indolone IUPAC Name: 9-methyl-3-[(5-methyl-1-tritylimidazol-4-yl)methyl]thiopyrano[2,3-b]indol-4-one Traditional Name: 9-methyl-3-[(5-methyl-1-trityl-imidazol-4-yl)methyl]thiopyran[2,3-b]indol-4-one Formula: C36H29N3OS MolecularWeight: 551.69996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C36H29N3OS/c1-25-31(22-26-23-41-35-33(34(26)40)30-20-12-13-21-32(30)38(35)2)37-24-39(25)36(27-14-6-3-7-15-27,28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-21,23-24H,22H2,1-2H3