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

Systemtic Name: 3-methoxy-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: 3-methoxy-4-nitro-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-1H-pyrazole-5-carboxamide CAS Name: 3-methoxy-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 3-methoxy-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: 3-methoxy-4-nitro-N-[3-nitro-5-(p-tolylthio)phenyl]-1H-pyrazole-5-carboxamide Formula: C18H15N5O6S MolecularWeight: 429.4066

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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=C(C(=NN3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O6S/c1-10-3-5-13(6-4-10)30-14-8-11(7-12(9-14)22(25)26)19-17(24)15-16(23(27)28)18(29-2)21-20-15/h3-9H,1-2H3,(H,19,24)(H,20,21)