(2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2R)-2-[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide CAS Name: (2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2R)-2-[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-fluorobenzyl)propionamide Formula: C21H20F2N4OS MolecularWeight: 414.471506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)F)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20F2N4OS/c1-3-12-27-19(16-6-10-18(23)11-7-16)25-26-21(27)29-14(2)20(28)24-13-15-4-8-17(22)9-5-15/h3-11,14H,1,12-13H2,2H3,(H,24,28)/t14-/m1/s1