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

Systemtic Name: N-[[4-butyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-butyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-butyl-5-[(3-fluorophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-butyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-butyl-5-[(3-fluorobenzyl)thio]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C22H25FN4O2S MolecularWeight: 428.522903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC2=CC(=CC=C2)F)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC2=CC(=CC=C2)F)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25FN4O2S/c1-3-4-12-27-20(14-24-21(28)17-8-10-19(29-2)11-9-17)25-26-22(27)30-15-16-6-5-7-18(23)13-16/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,24,28)