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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(4-bromobenzyl)thio]-3-(4-nitrophenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C23H15BrN4O3S MolecularWeight: 507.3592

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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=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC4=CC=C(C=C4)Br)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H15BrN4O3S/c24-15-7-5-14(6-8-15)13-32-23-26-20-18-3-1-2-4-19(18)25-21(20)22(29)27(23)16-9-11-17(12-10-16)28(30)31/h1-12,25H,13H2