N-(3-nitro-5-phenylsulfanyl-phenyl)-1,3-diphenyl-pyrazole-4-carboxamide

Systemtic Name: N-(3-nitro-5-phenylsulfanyl-phenyl)-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-(3-nitro-5-phenylsulfanyl-phenyl)-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[3-nitro-5-(phenylthio)phenyl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-(3-nitro-5-phenylsulfanylphenyl)-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-[3-nitro-5-(phenylthio)phenyl]-1,3-diphenyl-pyrazole-4-carboxamide Formula: C28H20N4O3S MolecularWeight: 492.5484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=CC(=C3)SC4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=CC(=C3)SC4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H20N4O3S/c33-28(29-21-16-23(32(34)35)18-25(17-21)36-24-14-8-3-9-15-24)26-19-31(22-12-6-2-7-13-22)30-27(26)20-10-4-1-5-11-20/h1-19H,(H,29,33)