N-[2-[3,5-dimethyl-1-(4-nitrophenyl)carbonyl-pyrazol-4-yl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[2-[3,5-dimethyl-1-(4-nitrophenyl)carbonyl-pyrazol-4-yl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[2-[3,5-dimethyl-1-(4-nitrobenzoyl)pyrazol-4-yl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[2-[[3,5-dimethyl-1-[(4-nitrophenyl)-oxomethyl]-4-pyrazolyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-[3,5-dimethyl-1-(4-nitrobenzoyl)pyrazol-4-yl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[2-[[3,5-dimethyl-1-(4-nitrobenzoyl)pyrazol-4-yl]thio]phenyl]-4-nitro-benzamide Formula: C25H19N5O6S MolecularWeight: 517.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)SC3=CC=CC=C3NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)SC3=CC=CC=C3NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19N5O6S/c1-15-23(16(2)28(27-15)25(32)18-9-13-20(14-10-18)30(35)36)37-22-6-4-3-5-21(22)26-24(31)17-7-11-19(12-8-17)29(33)34/h3-14H,1-2H3,(H,26,31)