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

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[4-(3-methoxypropyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[4-(3-methoxypropyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[4-(3-methoxypropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[4-(3-methoxypropyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CN=CC=C3

Isomeric SMILES

COCCCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C19H20N6O4S/c1-29-10-4-9-24-18(14-5-3-8-20-12-14)22-23-19(24)30-13-17(26)21-15-6-2-7-16(11-15)25(27)28/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,21,26)