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

Systemtic Name: (2R)-N-aminocarbonyl-2-[[4-azanyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide Openeye Name: (2R)-2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methyl-butanamide CAS Name: (2R)-2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-3-methylbutanamide IUPAC Name: (2R)-2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide Traditional Name: (2R)-2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-3-methyl-butyramide Formula: C14H17FN6O2S MolecularWeight: 352.387183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1N)C2=CC(=CC=C2)F

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)SC1=NN=C(N1N)C2=CC(=CC=C2)F

InChI

InChI=1S/C14H17FN6O2S/c1-7(2)10(12(22)18-13(16)23)24-14-20-19-11(21(14)17)8-4-3-5-9(15)6-8/h3-7,10H,17H2,1-2H3,(H3,16,18,22,23)/t10-/m1/s1