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

Systemtic Name: 2-(diphenylmethyl)sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-benzhydrylsulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(diphenylmethyl)thio]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-benzhydrylsulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(benzhydrylthio)-3-(4-nitrophenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C29H20N4O3S MolecularWeight: 504.5591

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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)[N+](=O)[O-])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)[N+](=O)[O-])NC6=CC=CC=C64

InChI

InChI=1S/C29H20N4O3S/c34-28-26-25(23-13-7-8-14-24(23)30-26)31-29(32(28)21-15-17-22(18-16-21)33(35)36)37-27(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18,27,30H