N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[4-(4-fluorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[4-(4-fluorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Formula: C22H17FN4O2S2 MolecularWeight: 452.524383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C22H17FN4O2S2/c23-16-8-10-17(11-9-16)27-20(13-24-21(29)19-7-4-12-30-19)25-26-22(27)31-14-18(28)15-5-2-1-3-6-15/h1-12H,13-14H2,(H,24,29)