N-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-bromanyl-benzamide

Systemtic Name: N-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-bromanyl-benzamide Openeye Name: N-[[5-(2-amino-2-oxo-ethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide CAS Name: N-[[5-[(2-amino-2-oxoethyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-bromobenzamide IUPAC Name: N-[[5-(2-amino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-bromobenzamide Traditional Name: N-[[5-[(2-amino-2-keto-ethyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide Formula: C14H16BrN5O2S MolecularWeight: 398.27814

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N)CNC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N)CNC(=O)C2=CC=CC=C2Br

InChI

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