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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[5-(2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)acetamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H20N4O2S/c1-3-12-26-21(19-13-16-9-5-7-11-18(16)28-19)24-25-22(26)29-14-20(27)23-17-10-6-4-8-15(17)2/h3-11,13H,1,12,14H2,2H3,(H,23,27)