N-[3-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[3-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-[(4-chlorophenyl)thio]-5-nitrophenyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-chlorophenyl)sulfanyl-5-nitrophenyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-[(4-chlorophenyl)thio]-5-nitro-phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C17H12ClN5O5S MolecularWeight: 433.82568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN5O5S/c1-21-9-15(23(27)28)16(20-21)17(24)19-11-6-12(22(25)26)8-14(7-11)29-13-4-2-10(18)3-5-13/h2-9H,1H3,(H,19,24)