2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)ethanamide

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: 2-[[5-(2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide Traditional Name: 2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide Formula: C21H17BrN4O2S MolecularWeight: 469.35428

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H17BrN4O2S/c1-2-10-26-20(18-11-14-6-3-4-9-17(14)28-18)24-25-21(26)29-13-19(27)23-16-8-5-7-15(22)12-16/h2-9,11-12H,1,10,13H2,(H,23,27)