3-(3-chlorophenyl)-2-(phenylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(3-chlorophenyl)-2-(phenylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-benzylsulfanyl-3-(3-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3-chlorophenyl)-2-(phenylmethylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-benzylsulfanyl-3-(3-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(benzylthio)-3-(3-chlorophenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C23H16ClN3OS MolecularWeight: 417.91064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53

InChI

InChI=1S/C23H16ClN3OS/c24-16-9-6-10-17(13-16)27-22(28)21-20(18-11-4-5-12-19(18)25-21)26-23(27)29-14-15-7-2-1-3-8-15/h1-13,25H,14H2