4-(3-nitrophenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione

Systemtic Name: 4-(3-nitrophenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 1-(1-methylbutyl)-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 4-(3-nitrophenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 4-(3-nitrophenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-(1-methylbutyl)-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N1

Isomeric SMILES

CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N1

InChI

InChI=1S/C17H20N4O4S/c1-3-5-10(2)20-16-14(17(23)19-20)15(26-9-13(22)18-16)11-6-4-7-12(8-11)21(24)25/h4,6-8,10,15H,3,5,9H2,1-2H3,(H,18,22)(H,19,23)