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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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