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

Systemtic Name: N-[[5-butylsulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-fluoranyl-benzamide Openeye Name: N-[[5-butylsulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide CAS Name: N-[[5-(butylthio)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide IUPAC Name: N-[[5-butylsulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide Traditional Name: N-[[5-(butylthio)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide Formula: C21H23FN4O2S MolecularWeight: 414.496323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=CC=C2OC)CNC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=CC=C2OC)CNC(=O)C3=CC=CC=C3F

InChI

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