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

Systemtic Name: 2-[[5-[(2-fluorophenyl)methylsulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-allyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-[[(2-fluorophenyl)methylthio]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-[(2-fluorophenyl)methylsulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-allyl-5-[[(2-fluorobenzyl)thio]methyl]-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H21FN4OS2 MolecularWeight: 428.546043

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CSCC3=CC=CC=C3F

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CSCC3=CC=CC=C3F

InChI

InChI=1S/C21H21FN4OS2/c1-2-12-26-19(14-28-13-16-8-6-7-11-18(16)22)24-25-21(26)29-15-20(27)23-17-9-4-3-5-10-17/h2-11H,1,12-15H2,(H,23,27)