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

Systemtic Name: 2-butan-2-ylsulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(4-nitrophenyl)-2-sec-butylsulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(butan-2-ylthio)-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-butan-2-ylsulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(4-nitrophenyl)-2-(sec-butylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=C(C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=C42

Isomeric SMILES

CCC(C)SC1=NC2=C(C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=C42

InChI

InChI=1S/C20H18N4O3S/c1-3-12(2)28-20-22-17-15-6-4-5-7-16(15)21-18(17)19(25)23(20)13-8-10-14(11-9-13)24(26)27/h4-12,21H,3H2,1-2H3