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

Systemtic Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-(3-nitro-4-piperidin-1-yl-phenyl)methanone Openeye Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-[3-nitro-4-(1-piperidyl)phenyl]methanone CAS Name: [3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]-[3-nitro-4-(1-piperidinyl)phenyl]methanone IUPAC Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone Traditional Name: [3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]-(3-nitro-4-piperidino-phenyl)methanone Formula: C23H23N5O5S MolecularWeight: 481.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O5S/c1-15-22(34-19-9-7-18(8-10-19)27(30)31)16(2)26(24-15)23(29)17-6-11-20(21(14-17)28(32)33)25-12-4-3-5-13-25/h6-11,14H,3-5,12-13H2,1-2H3