5,8-diethyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-g]quinoxaline-6,7-dione

Systemtic Name: 5,8-diethyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-g]quinoxaline-6,7-dione Openeye Name: 5,8-diethyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-g]quinoxaline-6,7-dione CAS Name: 5,8-diethyl-2-[(4-nitrophenyl)methylthio]-1H-imidazo[4,5-g]quinoxaline-6,7-dione IUPAC Name: 5,8-diethyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-g]quinoxaline-6,7-dione Traditional Name: 5,8-diethyl-2-[(4-nitrobenzyl)thio]-1H-imidazo[4,5-g]quinoxaline-6,7-quinone Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C3C(=C2)NC(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])N(C(=O)C1=O)CC

Isomeric SMILES

CCN1C2=C(C=C3C(=C2)NC(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])N(C(=O)C1=O)CC

InChI

InChI=1S/C20H19N5O4S/c1-3-23-16-9-14-15(10-17(16)24(4-2)19(27)18(23)26)22-20(21-14)30-11-12-5-7-13(8-6-12)25(28)29/h5-10H,3-4,11H2,1-2H3,(H,21,22)