2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)propanamide

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)propanamide Openeye Name: 2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)propanamide CAS Name: 2-[[5-(2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)propanamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)propanamide Traditional Name: 2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)propionamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N4O2S/c1-13-8-4-6-10-16(13)22-20(26)14(2)28-21-24-23-19(25(21)3)18-12-15-9-5-7-11-17(15)27-18/h4-12,14H,1-3H3,(H,22,26)