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

Systemtic Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H21FN4OS MolecularWeight: 396.481043

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3F

Isomeric SMILES

C=CCNC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3F

InChI

InChI=1S/C21H21FN4OS/c1-2-13-23-19(27)15-28-21-25-24-20(17-10-6-7-11-18(17)22)26(21)14-12-16-8-4-3-5-9-16/h2-11H,1,12-15H2,(H,23,27)