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

Systemtic Name: 4-butoxy-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-butoxy-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-butoxy-N-[[4-(4-fluorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-butoxy-N-[[4-(4-fluorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H23FN4O2S MolecularWeight: 414.496323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C21H23FN4O2S/c1-3-4-13-28-18-11-5-15(6-12-18)20(27)23-14-19-24-25-21(29-2)26(19)17-9-7-16(22)8-10-17/h5-12H,3-4,13-14H2,1-2H3,(H,23,27)