N-[4-(4-fluoranylphenoxy)butyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[4-(4-fluoranylphenoxy)butyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[4-(4-fluorophenoxy)butyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[4-(4-fluorophenoxy)butyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[4-(4-fluorophenoxy)butyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[4-(4-fluorophenoxy)butyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H21FN4O2S MolecularWeight: 400.469743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NN2)C(=O)NCCCCOC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NN2)C(=O)NCCCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4O2S/c21-17-7-9-18(10-8-17)27-12-2-1-11-22-19(26)16-5-3-15(4-6-16)13-28-20-23-14-24-25-20/h3-10,14H,1-2,11-13H2,(H,22,26)(H,23,24,25)