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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(3-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(3-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-3-(3-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(3-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(4-bromobenzyl)thio]-3-(3-chlorophenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C23H15BrClN3OS MolecularWeight: 496.8067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC4=CC=C(C=C4)Br)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC4=CC=C(C=C4)Br)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C23H15BrClN3OS/c24-15-10-8-14(9-11-15)13-30-23-27-20-18-6-1-2-7-19(18)26-21(20)22(29)28(23)17-5-3-4-16(25)12-17/h1-12,26H,13H2