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

Systemtic Name: 2-[[5-[(4-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[[4-allyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[[5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenylacetamide IUPAC Name: 2-[[5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylacetamide Traditional Name: 2-[[4-allyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenyl-acetamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)F

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN4O2S/c1-3-13-26-19(14-28-18-11-9-16(22)10-12-18)23-24-21(26)29-15-20(27)25(2)17-7-5-4-6-8-17/h3-12H,1,13-15H2,2H3