[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-(4-morpholin-4-yl-3-nitro-phenyl)methanone

Systemtic Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-(4-morpholin-4-yl-3-nitro-phenyl)methanone Openeye Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-(4-morpholino-3-nitro-phenyl)methanone CAS Name: [3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]-[4-(4-morpholinyl)-3-nitrophenyl]methanone IUPAC Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone Traditional Name: [3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]-(4-morpholino-3-nitro-phenyl)methanone Formula: C22H21N5O6S MolecularWeight: 483.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O6S/c1-14-21(34-18-6-4-17(5-7-18)26(29)30)15(2)25(23-14)22(28)16-3-8-19(20(13-16)27(31)32)24-9-11-33-12-10-24/h3-8,13H,9-12H2,1-2H3