N-[2-[2-chloranyl-4-(trifluoromethyloxy)phenyl]-4-nitro-pyrazol-3-yl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[2-[2-chloranyl-4-(trifluoromethyloxy)phenyl]-4-nitro-pyrazol-3-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[2-[2-chloro-4-(trifluoromethoxy)phenyl]-4-nitro-pyrazol-3-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[2-[2-chloro-4-(trifluoromethoxy)phenyl]-4-nitro-3-pyrazolyl]-2-(phenylthio)acetamide IUPAC Name: N-[2-[2-chloro-4-(trifluoromethoxy)phenyl]-4-nitropyrazol-3-yl]-2-phenylsulfanylacetamide Traditional Name: N-[2-[2-chloro-4-(trifluoromethoxy)phenyl]-4-nitro-pyrazol-3-yl]-2-(phenylthio)acetamide Formula: C18H12ClF3N4O4S MolecularWeight: 472.82549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)NC2=C(C=NN2C3=C(C=C(C=C3)OC(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)NC2=C(C=NN2C3=C(C=C(C=C3)OC(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H12ClF3N4O4S/c19-13-8-11(30-18(20,21)22)6-7-14(13)25-17(15(9-23-25)26(28)29)24-16(27)10-31-12-4-2-1-3-5-12/h1-9H,10H2,(H,24,27)