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

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[[4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridyl)acetamide CAS Name: 2-[[4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[[4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-ylacetamide Traditional Name: 2-[[4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyridyl)acetamide Formula: C18H18N6O4S MolecularWeight: 414.43832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC(=O)NC2=CN=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)NC2=CN=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O4S/c1-28-9-8-23-17(13-4-2-6-15(10-13)24(26)27)21-22-18(23)29-12-16(25)20-14-5-3-7-19-11-14/h2-7,10-11H,8-9,12H2,1H3,(H,20,25)