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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-(diphenylmethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-benzhydrylsulfanyl-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[(diphenylmethyl)thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-benzhydrylsulfanyl-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(benzhydrylthio)-3-(3,5-dimethylphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C31H25N3OS MolecularWeight: 487.6147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H25N3OS/c1-20-17-21(2)19-24(18-20)34-30(35)28-27(25-15-9-10-16-26(25)32-28)33-31(34)36-29(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-19,29,32H,1-2H3