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

Systemtic Name: 2-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide Openeye Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N,N-diethylacetamide IUPAC Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide Traditional Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N,N-diethyl-acetamide Formula: C14H18BrN5OS MolecularWeight: 384.29462

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NN=C(N1N)C2=CC(=CC=C2)Br

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(N1N)C2=CC(=CC=C2)Br

InChI

InChI=1S/C14H18BrN5OS/c1-3-19(4-2)12(21)9-22-14-18-17-13(20(14)16)10-6-5-7-11(15)8-10/h5-8H,3-4,9,16H2,1-2H3