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

Systemtic Name: 2-bromanyl-N-[[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 2-bromo-N-[[5-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 2-bromo-N-[[5-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-bromo-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 2-bromo-N-[[5-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C20H26BrN5O2S MolecularWeight: 480.42174

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H26BrN5O2S/c1-2-26-17(12-22-19(28)15-10-6-7-11-16(15)21)24-25-20(26)29-13-18(27)23-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,22,28)(H,23,27)