N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-2-(3-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-2-(3-nitropyrazol-1-yl)ethanamide Openeye Name: N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-2-(3-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-2-(3-nitropyrazol-1-yl)acetamide Traditional Name: N-[3-nitro-5-(p-tolylthio)phenyl]-2-(3-nitropyrazol-1-yl)acetamide 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)CN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C=CC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5S/c1-12-2-4-15(5-3-12)29-16-9-13(8-14(10-16)22(25)26)19-18(24)11-21-7-6-17(20-21)23(27)28/h2-10H,11H2,1H3,(H,19,24)