N-(3-nitro-5-pyridin-2-ylsulfanyl-phenyl)-1,3-diphenyl-pyrazole-4-carboxamide

Systemtic Name: N-(3-nitro-5-pyridin-2-ylsulfanyl-phenyl)-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-[3-nitro-5-(2-pyridylsulfanyl)phenyl]-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[3-nitro-5-(2-pyridinylthio)phenyl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-(3-nitro-5-pyridin-2-ylsulfanylphenyl)-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-[3-nitro-5-(2-pyridylthio)phenyl]-1,3-diphenyl-pyrazole-4-carboxamide Formula: C27H19N5O3S MolecularWeight: 493.53646

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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=N4)[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=N4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H19N5O3S/c33-27(29-20-15-22(32(34)35)17-23(16-20)36-25-13-7-8-14-28-25)24-18-31(21-11-5-2-6-12-21)30-26(24)19-9-3-1-4-10-19/h1-18H,(H,29,33)