2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]ethanamide

Systemtic Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]ethanamide Openeye Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]acetamide CAS Name: 2-(5-methyl-3,4-dinitro-1-pyrazolyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]acetamide IUPAC Name: 2-(5-methyl-3,4-dinitropyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]acetamide Traditional Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]acetamide Formula: C19H16N6O7S MolecularWeight: 472.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C19H16N6O7S/c1-11-3-5-15(6-4-11)33-16-8-13(7-14(9-16)23(27)28)20-17(26)10-22-12(2)18(24(29)30)19(21-22)25(31)32/h3-9H,10H2,1-2H3,(H,20,26)