2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(6-methoxypyridin-3-yl)ethanamide

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(6-methoxypyridin-3-yl)ethanamide Openeye Name: 2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-methoxy-3-pyridyl)acetamide CAS Name: 2-[[5-(2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(6-methoxy-3-pyridinyl)acetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(6-methoxypyridin-3-yl)acetamide Traditional Name: 2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(6-methoxy-3-pyridyl)acetamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COC1=NC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H19N5O3S/c1-3-10-26-20(17-11-14-6-4-5-7-16(14)29-17)24-25-21(26)30-13-18(27)23-15-8-9-19(28-2)22-12-15/h3-9,11-12H,1,10,13H2,2H3,(H,23,27)