2-[[5-(1-benzofuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethanoylphenyl)butanamide

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethanoylphenyl)butanamide Openeye Name: N-(3-acetylphenyl)-2-[[5-(benzofuran-2-yl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-(3-acetylphenyl)-2-[[5-(2-benzofuranyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-(3-acetylphenyl)-2-[[5-(1-benzofuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-(3-acetylphenyl)-2-[[5-(benzofuran-2-yl)-4-isopropyl-1,2,4-triazol-3-yl]thio]butyramide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NN=C(N2C(C)C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NN=C(N2C(C)C)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H26N4O3S/c1-5-22(24(31)26-19-11-8-10-17(13-19)16(4)30)33-25-28-27-23(29(25)15(2)3)21-14-18-9-6-7-12-20(18)32-21/h6-15,22H,5H2,1-4H3,(H,26,31)