N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-benzamide Openeye Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide CAS Name: N-[[5-(2-dimethylaminoethylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzamide IUPAC Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzamide Traditional Name: N-[[5-(2-dimethylaminoethylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide Formula: C15H20FN5OS MolecularWeight: 337.415603

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCN(C)C)CNC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN1C(=NN=C1SCCN(C)C)CNC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H20FN5OS/c1-20(2)8-9-23-15-19-18-13(21(15)3)10-17-14(22)11-4-6-12(16)7-5-11/h4-7H,8-10H2,1-3H3,(H,17,22)