N-aminocarbonyl-2-[[5-[(2-fluoranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-2-[[5-[(2-fluoranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-carbamoyl-2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-carbamoyl-2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-carbamoyl-2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-carbamoyl-2-[[5-[(2-fluorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H18FN5O3S MolecularWeight: 415.441323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3F

Isomeric SMILES

CC(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3F

InChI

InChI=1S/C19H18FN5O3S/c1-12(17(26)22-18(21)27)29-19-24-23-16(25(19)13-7-3-2-4-8-13)11-28-15-10-6-5-9-14(15)20/h2-10,12H,11H2,1H3,(H3,21,22,26,27)