2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=NC=C3

Isomeric SMILES

CCOCCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C20H22N6O4S/c1-2-30-13-5-12-25-19(15-8-10-21-11-9-15)23-24-20(25)31-14-18(27)22-16-6-3-4-7-17(16)26(28)29/h3-4,6-11H,2,5,12-14H2,1H3,(H,22,27)