2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)ethanamide

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)acetamide CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-[oxo(propylamino)methyl]acetamide IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)acetamide Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(propylcarbamoyl)acetamide Formula: C14H16BrN5O2S MolecularWeight: 398.27814

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2Br

Isomeric SMILES

CCCNC(=O)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2Br

InChI

InChI=1S/C14H16BrN5O2S/c1-2-7-16-13(22)17-11(21)8-23-14-18-12(19-20-14)9-5-3-4-6-10(9)15/h3-6H,2,7-8H2,1H3,(H,18,19,20)(H2,16,17,21,22)