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

Systemtic Name: 2-bromanyl-N-[[4-methyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide CAS Name: N-[[5-[(2-anilino-2-oxoethyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-bromobenzamide IUPAC Name: N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-bromobenzamide Traditional Name: N-[[5-[(2-anilino-2-keto-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide Formula: C19H18BrN5O2S MolecularWeight: 460.34752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C19H18BrN5O2S/c1-25-16(11-21-18(27)14-9-5-6-10-15(14)20)23-24-19(25)28-12-17(26)22-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,21,27)(H,22,26)