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

Systemtic Name: 2-(diphenylmethyl)sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-benzhydrylsulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(diphenylmethyl)thio]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-benzhydrylsulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(benzhydrylthio)-3-phenyl-5H-pyrimid[5,4-b]indol-4-one Formula: C29H21N3OS MolecularWeight: 459.56154

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=CC=C5)NC6=CC=CC=C64

Isomeric SMILES

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

InChI

InChI=1S/C29H21N3OS/c33-28-26-25(23-18-10-11-19-24(23)30-26)31-29(32(28)22-16-8-3-9-17-22)34-27(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-19,27,30H