2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)propanamide

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)propanamide Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)propanamide CAS Name: 2-[(4-fluorophenyl)methylthio]-N-[(4-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)propanamide IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)propanamide Traditional Name: 2-[(4-fluorobenzyl)thio]-N-p-anisyl-N-(1H-1,2,4-triazol-5-yl)propionamide Formula: C20H21FN4O2S MolecularWeight: 400.469743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=C(C=C1)OC)C2=NC=NN2)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)N(CC1=CC=C(C=C1)OC)C2=NC=NN2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4O2S/c1-14(28-12-16-3-7-17(21)8-4-16)19(26)25(20-22-13-23-24-20)11-15-5-9-18(27-2)10-6-15/h3-10,13-14H,11-12H2,1-2H3,(H,22,23,24)