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

Systemtic Name: 4-butoxy-N-[[5-ethylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-butoxy-N-[[5-ethylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-butoxy-N-[[5-(ethylthio)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-butoxy-N-[[5-ethylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-butoxy-N-[[5-(ethylthio)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C22H25FN4O2S MolecularWeight: 428.522903

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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)SCC

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4O2S/c1-3-5-14-29-19-12-6-16(7-13-19)21(28)24-15-20-25-26-22(30-4-2)27(20)18-10-8-17(23)9-11-18/h6-13H,3-5,14-15H2,1-2H3,(H,24,28)