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

Systemtic Name: 2-(diphenylmethyl)sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-benzhydrylsulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(diphenylmethyl)thio]-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-benzhydrylsulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(benzhydrylthio)-3-p-phenetyl-5H-pyrimid[5,4-b]indol-4-one Formula: C31H25N3O2S MolecularWeight: 503.6141

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC1=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/C31H25N3O2S/c1-2-36-24-19-17-23(18-20-24)34-30(35)28-27(25-15-9-10-16-26(25)32-28)33-31(34)37-29(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-20,29,32H,2H2,1H3