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

Systemtic Name: 2-[[5-(5-bromanyl-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-(5-bromobenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: 2-[[5-(5-bromo-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide IUPAC Name: 2-[[5-(5-bromo-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-(5-bromobenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide Formula: C21H16Br2N4O2S MolecularWeight: 548.25034

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C21H16Br2N4O2S/c1-2-8-27-20(18-10-13-9-15(23)6-7-17(13)29-18)25-26-21(27)30-12-19(28)24-16-5-3-4-14(22)11-16/h2-7,9-11H,1,8,12H2,(H,24,28)