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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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