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

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(4-nitrophenyl)-2-(o-tolylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(2-methylphenyl)methylthio]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2-methylbenzyl)thio]-3-(4-nitrophenyl)-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=CC=C1CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53

InChI

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