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

Systemtic Name: 3-(3-chlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3-chlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3-chlorophenyl)-2-[(4-nitrophenyl)methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3-chlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3-chlorophenyl)-2-[(4-nitrobenzyl)thio]-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=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC(=CC=C5)Cl

Isomeric SMILES

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

InChI

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