2-fluoranyl-N-[[5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 2-fluoranyl-N-[[5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide CAS Name: 2-fluoro-N-[[5-(2-phenoxyethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-fluoro-N-[[5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCOC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3F

Isomeric SMILES

C=CCN1C(=NN=C1SCCOC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H21FN4O2S/c1-2-12-26-19(15-23-20(27)17-10-6-7-11-18(17)22)24-25-21(26)29-14-13-28-16-8-4-3-5-9-16/h2-11H,1,12-15H2,(H,23,27)