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

Systemtic Name: 2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(5-bromobenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide CAS Name: 2-[[5-(5-bromo-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-[[5-(5-bromo-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[[4-allyl-5-(5-bromobenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)acetamide Formula: C22H19BrN4O3S MolecularWeight: 499.38026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C22H19BrN4O3S/c1-3-10-27-21(19-12-14-11-15(23)8-9-17(14)30-19)25-26-22(27)31-13-20(28)24-16-6-4-5-7-18(16)29-2/h3-9,11-12H,1,10,13H2,2H3,(H,24,28)