2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C)C3=CC=NC=C3

InChI

InChI=1S/C18H18N6O3S/c1-3-23-17(13-7-9-19-10-8-13)21-22-18(23)28-11-16(25)20-14-5-4-6-15(12(14)2)24(26)27/h4-10H,3,11H2,1-2H3,(H,20,25)