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

Systemtic Name: (2R)-N-aminocarbonyl-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide Openeye Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methyl-butanamide CAS Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-carbamoyl-3-methylbutanamide IUPAC Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide Traditional Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-carbamoyl-3-methyl-butyramide Formula: C14H16BrN5O2S MolecularWeight: 398.27814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NNC(=N1)C2=CC=CC=C2Br

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)SC1=NNC(=N1)C2=CC=CC=C2Br

InChI

InChI=1S/C14H16BrN5O2S/c1-7(2)10(12(21)18-13(16)22)23-14-17-11(19-20-14)8-5-3-4-6-9(8)15/h3-7,10H,1-2H3,(H,17,19,20)(H3,16,18,21,22)/t10-/m1/s1