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

Systemtic Name: 3-(4-nitrophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(4-nitrophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-nitrophenyl)-2-[(4-nitrophenyl)methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-nitrophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(4-nitrobenzyl)thio]-3-(4-nitrophenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C23H15N5O5S MolecularWeight: 473.4607

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

InChI

InChI=1S/C23H15N5O5S/c29-22-21-20(18-3-1-2-4-19(18)24-21)25-23(26(22)15-9-11-17(12-10-15)28(32)33)34-13-14-5-7-16(8-6-14)27(30)31/h1-12,24H,13H2