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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2-chlorobenzyl)thio]-3-(4-nitrophenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C23H15ClN4O3S MolecularWeight: 462.9082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53)Cl

InChI

InChI=1S/C23H15ClN4O3S/c24-18-7-3-1-5-14(18)13-32-23-26-20-17-6-2-4-8-19(17)25-21(20)22(29)27(23)15-9-11-16(12-10-15)28(30)31/h1-12,25H,13H2