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

Systemtic Name: (2R)-N-tert-butyl-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-tert-butyl-propanamide CAS Name: (2R)-N-tert-butyl-2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-tert-butyl-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-tert-butyl-propionamide Formula: C18H23FN4OS MolecularWeight: 362.464823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1CC=C)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)SC1=NN=C(N1CC=C)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H23FN4OS/c1-6-11-23-15(13-7-9-14(19)10-8-13)21-22-17(23)25-12(2)16(24)20-18(3,4)5/h6-10,12H,1,11H2,2-5H3,(H,20,24)/t12-/m1/s1