2-ethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 2-ethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 2-ethyl-4-nitro-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-ethyl-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 2-ethyl-4-nitro-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazole-3-carboxamide Formula: C19H17N5O5S MolecularWeight: 427.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC(=CC(=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC(=CC(=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5S/c1-3-22-18(17(11-20-22)24(28)29)19(25)21-13-8-14(23(26)27)10-16(9-13)30-15-6-4-12(2)5-7-15/h4-11H,3H2,1-2H3,(H,21,25)