4-[2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C20H18BrN5O2S MolecularWeight: 472.35822

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=C(C=C3)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18BrN5O2S/c1-2-11-26-19(14-3-7-15(21)8-4-14)24-25-20(26)29-12-17(27)23-16-9-5-13(6-10-16)18(22)28/h2-10H,1,11-12H2,(H2,22,28)(H,23,27)