N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 3-nitro-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-1H-pyrazole-5-carboxamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 3-nitro-N-[3-nitro-5-(p-tolylthio)phenyl]-1H-pyrazole-5-carboxamide Formula: C17H13N5O5S MolecularWeight: 399.38062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=NN3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=NN3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O5S/c1-10-2-4-13(5-3-10)28-14-7-11(6-12(8-14)21(24)25)18-17(23)15-9-16(20-19-15)22(26)27/h2-9H,1H3,(H,18,23)(H,19,20)