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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromanyl-3-methyl-phenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-3-methyl-phenyl)acetamide CAS Name: 2-[[5-(2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(4-bromo-3-methylphenyl)acetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-3-methylphenyl)acetamide Traditional Name: 2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(4-bromo-3-methyl-phenyl)acetamide Formula: C22H19BrN4O2S MolecularWeight: 483.38086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=CC=CC=C4O3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=CC=CC=C4O3)Br

InChI

InChI=1S/C22H19BrN4O2S/c1-3-10-27-21(19-12-15-6-4-5-7-18(15)29-19)25-26-22(27)30-13-20(28)24-16-8-9-17(23)14(2)11-16/h3-9,11-12H,1,10,13H2,2H3,(H,24,28)