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

Systemtic Name: 3-(4-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-(p-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-methylphenyl)-2-[(4-nitrophenyl)methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(4-nitrobenzyl)thio]-3-(p-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C24H18N4O3S MolecularWeight: 442.48972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H18N4O3S/c1-15-6-10-17(11-7-15)27-23(29)22-21(19-4-2-3-5-20(19)25-22)26-24(27)32-14-16-8-12-18(13-9-16)28(30)31/h2-13,25H,14H2,1H3