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

Systemtic Name: 1-cyclohexyl-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 1-cyclohexyl-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-cyclohexyl-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-cyclohexyl-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-cyclohexyl-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N2

Isomeric SMILES

C1CCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N2

InChI

InChI=1S/C18H20N4O4S/c23-14-10-27-16(11-5-4-8-13(9-11)22(25)26)15-17(19-14)21(20-18(15)24)12-6-2-1-3-7-12/h4-5,8-9,12,16H,1-3,6-7,10H2,(H,19,23)(H,20,24)