3-(4-chlorophenyl)-2-(diphenylmethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(4-chlorophenyl)-2-(diphenylmethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-benzhydrylsulfanyl-3-(4-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-chlorophenyl)-2-[(diphenylmethyl)thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-benzhydrylsulfanyl-3-(4-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(benzhydrylthio)-3-(4-chlorophenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C29H20ClN3OS MolecularWeight: 494.0066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)SC3=NC4=C(C(=O)N3C5=CC=C(C=C5)Cl)NC6=CC=CC=C64

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)SC3=NC4=C(C(=O)N3C5=CC=C(C=C5)Cl)NC6=CC=CC=C64

InChI

InChI=1S/C29H20ClN3OS/c30-21-15-17-22(18-16-21)33-28(34)26-25(23-13-7-8-14-24(23)31-26)32-29(33)35-27(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18,27,31H