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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(4-nitrophenyl)methylthio]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(4-nitrobenzyl)thio]-3-phenyl-5H-pyrimid[5,4-b]indol-4-one Formula: C23H16N4O3S MolecularWeight: 428.46314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O3S/c28-22-21-20(18-8-4-5-9-19(18)24-21)25-23(26(22)16-6-2-1-3-7-16)31-14-15-10-12-17(13-11-15)27(29)30/h1-13,24H,14H2