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

Systemtic Name: 2-(diphenylmethyl)sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-benzhydrylsulfanyl-3-(p-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(diphenylmethyl)thio]-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-benzhydrylsulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(benzhydrylthio)-3-(p-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C30H23N3OS MolecularWeight: 473.58812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H23N3OS/c1-20-16-18-23(19-17-20)33-29(34)27-26(24-14-8-9-15-25(24)31-27)32-30(33)35-28(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-19,28,31H,1H3