2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-(5-methyl-3,4-dinitro-1-pyrazolyl)-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-(5-methyl-3,4-dinitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-[2-(phenylthio)phenyl]acetamide Formula: C18H15N5O5S MolecularWeight: 413.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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