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

Systemtic Name: 3-ethyl-2-[(3-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-ethyl-2-[(3-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-ethyl-2-[(3-nitrophenyl)methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-ethyl-2-[(3-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-ethyl-2-[(3-nitrobenzyl)thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O3S/c1-2-22-18(24)17-16(14-8-3-4-9-15(14)20-17)21-19(22)27-11-12-6-5-7-13(10-12)23(25)26/h3-10,20H,2,11H2,1H3