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

Systemtic Name: N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-(4-fluorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(4-fluorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-piperonylamide Formula: C18H15FN4O3S MolecularWeight: 386.400103

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H15FN4O3S/c1-27-18-22-21-16(23(18)13-5-3-12(19)4-6-13)9-20-17(24)11-2-7-14-15(8-11)26-10-25-14/h2-8H,9-10H2,1H3,(H,20,24)