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

Systemtic Name: (2R)-2-[[4-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide Openeye Name: (2R)-2-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide CAS Name: (2R)-2-[[4-amino-5-(phenylmethylthio)-1,2,4-triazol-3-yl]thio]-N-[(4-fluorophenyl)methyl]propanamide IUPAC Name: (2R)-2-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide Traditional Name: (2R)-2-[[4-amino-5-(benzylthio)-1,2,4-triazol-3-yl]thio]-N-(4-fluorobenzyl)propionamide Formula: C19H20FN5OS2 MolecularWeight: 417.523403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NN=C(N2N)SCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)F)SC2=NN=C(N2N)SCC3=CC=CC=C3

InChI

InChI=1S/C19H20FN5OS2/c1-13(17(26)22-11-14-7-9-16(20)10-8-14)28-19-24-23-18(25(19)21)27-12-15-5-3-2-4-6-15/h2-10,13H,11-12,21H2,1H3,(H,22,26)/t13-/m1/s1