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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-nitropyridin-2-yl)ethanamide Openeye Name: 2-[[5-(benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-nitro-2-pyridyl)acetamide CAS Name: 2-[[5-(2-benzofuranyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-(5-nitro-2-pyridinyl)acetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-nitropyridin-2-yl)acetamide Traditional Name: 2-[[5-(benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-(5-nitro-2-pyridyl)acetamide Formula: C20H18N6O4S MolecularWeight: 438.45972

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)[N+](=O)[O-])C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)[N+](=O)[O-])C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N6O4S/c1-2-9-25-19(16-10-13-5-3-4-6-15(13)30-16)23-24-20(25)31-12-18(27)22-17-8-7-14(11-21-17)26(28)29/h3-8,10-11H,2,9,12H2,1H3,(H,21,22,27)