N-[2-[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]-2-pyrazol-1-yl-benzamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]-2-pyrazol-1-yl-benzamide Openeye Name: N-[2-[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]-2-pyrazol-1-yl-benzamide CAS Name: N-[2-[4-(4-fluorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]ethyl]-2-(1-pyrazolyl)benzamide IUPAC Name: N-[2-[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]-2-pyrazol-1-ylbenzamide Traditional Name: N-[2-[4-(4-fluorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]ethyl]-2-pyrazol-1-yl-benzamide Formula: C21H19FN6OS MolecularWeight: 422.478563

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2=CC=C(C=C2)F)CCNC(=O)C3=CC=CC=C3N4C=CC=N4

Isomeric SMILES

CSC1=NN=C(N1C2=CC=C(C=C2)F)CCNC(=O)C3=CC=CC=C3N4C=CC=N4

InChI

InChI=1S/C21H19FN6OS/c1-30-21-26-25-19(28(21)16-9-7-15(22)8-10-16)11-13-23-20(29)17-5-2-3-6-18(17)27-14-4-12-24-27/h2-10,12,14H,11,13H2,1H3,(H,23,29)