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

Systemtic Name: 2-bromanyl-N-[[4-ethyl-5-(1-oxidanylidene-1-phenylazanyl-butan-2-yl)sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 2-bromo-N-[[4-ethyl-5-[1-(phenylcarbamoyl)propylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[5-[(1-anilino-1-oxobutan-2-yl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-bromobenzamide IUPAC Name: N-[[5-(1-anilino-1-oxobutan-2-yl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-bromobenzamide Traditional Name: 2-bromo-N-[[4-ethyl-5-[1-(phenylcarbamoyl)propylthio]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C22H24BrN5O2S MolecularWeight: 502.42726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC)CNC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC)CNC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H24BrN5O2S/c1-3-18(21(30)25-15-10-6-5-7-11-15)31-22-27-26-19(28(22)4-2)14-24-20(29)16-12-8-9-13-17(16)23/h5-13,18H,3-4,14H2,1-2H3,(H,24,29)(H,25,30)