2-[(3,4-dichlorophenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-3-phenyl-5H-pyrimid[5,4-b]indol-4-one Formula: C23H15Cl2N3OS MolecularWeight: 452.3557

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C23H15Cl2N3OS/c24-17-11-10-14(12-18(17)25)13-30-23-27-20-16-8-4-5-9-19(16)26-21(20)22(29)28(23)15-6-2-1-3-7-15/h1-12,26H,13H2