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

Systemtic Name: 1-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-methyl-4-nitro-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-methyl-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-methyl-4-nitro-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazole-3-carboxamide Formula: C18H15N5O5S MolecularWeight: 413.4072

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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=NN(C=C3[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O5S/c1-11-3-5-14(6-4-11)29-15-8-12(7-13(9-15)22(25)26)19-18(24)17-16(23(27)28)10-21(2)20-17/h3-10H,1-2H3,(H,19,24)