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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethanoylphenyl)butanamide Openeye Name: N-(3-acetylphenyl)-2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-(3-acetylphenyl)-2-[[5-(2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-(3-acetylphenyl)-2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-(3-acetylphenyl)-2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]butyramide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3S/c1-4-20(22(29)24-17-10-7-9-15(12-17)14(2)28)31-23-26-25-21(27(23)3)19-13-16-8-5-6-11-18(16)30-19/h5-13,20H,4H2,1-3H3,(H,24,29)