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

Systemtic Name: 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-butanamide Openeye Name: 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-butanamide CAS Name: 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N,N-diethylbutanamide IUPAC Name: 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylbutanamide Traditional Name: 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N,N-diethyl-butyramide Formula: C16H21BrN4OS MolecularWeight: 397.33314

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCCSC1=NNC(=N1)C2=CC=CC=C2Br

Isomeric SMILES

CCN(CC)C(=O)CCCSC1=NNC(=N1)C2=CC=CC=C2Br

InChI

InChI=1S/C16H21BrN4OS/c1-3-21(4-2)14(22)10-7-11-23-16-18-15(19-20-16)12-8-5-6-9-13(12)17/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,18,19,20)