2-[[5-(1-benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[[5-(benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[5-(2-benzofuranyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[5-(benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-(3-pyridylmethyl)acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NCC2=CN=CC=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NCC2=CN=CC=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N5O2S/c1-2-10-26-20(18-11-16-7-3-4-8-17(16)28-18)24-25-21(26)29-14-19(27)23-13-15-6-5-9-22-12-15/h3-9,11-12H,2,10,13-14H2,1H3,(H,23,27)