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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)F)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H21FN4OS/c1-3-14-26-20(16-8-6-5-7-9-16)23-24-21(26)28-15-19(27)25(4-2)18-12-10-17(22)11-13-18/h3,5-13H,1,4,14-15H2,2H3