N-(2-fluorophenyl)-2-[5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCOC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3F

Isomeric SMILES

C=CCN1C(=NN=C1SCCOC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3F

InChI

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