[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-(5-nitrofuran-2-yl)methanone

Systemtic Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-(5-nitrofuran-2-yl)methanone Openeye Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-(5-nitro-2-furyl)methanone CAS Name: [3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-pyrazolyl]-(5-nitro-2-furanyl)methanone IUPAC Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]-(5-nitrofuran-2-yl)methanone Traditional Name: [3,5-dimethyl-4-[(2-nitrophenyl)thio]pyrazol-1-yl]-(5-nitro-2-furyl)methanone Formula: C16H12N4O6S MolecularWeight: 388.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=C(O2)[N+](=O)[O-])C)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=C(O2)[N+](=O)[O-])C)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O6S/c1-9-15(27-13-6-4-3-5-11(13)19(22)23)10(2)18(17-9)16(21)12-7-8-14(26-12)20(24)25/h3-8H,1-2H3