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

Systemtic Name: 2-bromanyl-N-[[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide CAS Name: 2-bromo-N-[[5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-bromo-N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide Formula: C21H18Br2N4O2S MolecularWeight: 550.26622

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CNC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CNC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H18Br2N4O2S/c1-2-11-27-19(12-24-20(29)16-5-3-4-6-17(16)23)25-26-21(27)30-13-18(28)14-7-9-15(22)10-8-14/h2-10H,1,11-13H2,(H,24,29)