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

Systemtic Name: N-[[5-butan-2-ylsulfanyl-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(3-fluorophenyl)-5-sec-butylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-(butan-2-ylthio)-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-butan-2-ylsulfanyl-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-(3-fluorophenyl)-5-(sec-butylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C21H23FN4O2S MolecularWeight: 414.496323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1C2=CC(=CC=C2)F)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC(C)SC1=NN=C(N1C2=CC(=CC=C2)F)CNC(=O)C3=CC=C(C=C3)OC

InChI

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