2-(2-fluorophenyl)sulfanyl-5-nitro-N-(6-pyrazol-1-ylpyridin-3-yl)benzamide

Systemtic Name: 2-(2-fluorophenyl)sulfanyl-5-nitro-N-(6-pyrazol-1-ylpyridin-3-yl)benzamide Openeye Name: 2-(2-fluorophenyl)sulfanyl-5-nitro-N-(6-pyrazol-1-yl-3-pyridyl)benzamide CAS Name: 2-[(2-fluorophenyl)thio]-5-nitro-N-[6-(1-pyrazolyl)-3-pyridinyl]benzamide IUPAC Name: 2-(2-fluorophenyl)sulfanyl-5-nitro-N-(6-pyrazol-1-ylpyridin-3-yl)benzamide Traditional Name: 2-[(2-fluorophenyl)thio]-5-nitro-N-(6-pyrazol-1-yl-3-pyridyl)benzamide Formula: C21H14FN5O3S MolecularWeight: 435.430963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)F)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)F)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H14FN5O3S/c22-17-4-1-2-5-19(17)31-18-8-7-15(27(29)30)12-16(18)21(28)25-14-6-9-20(23-13-14)26-11-3-10-24-26/h1-13H,(H,25,28)