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

Systemtic Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3C

InChI

InChI=1S/C19H19N5O3S/c1-3-23-18(16-7-5-4-6-13(16)2)21-22-19(23)28-12-17(25)20-14-8-10-15(11-9-14)24(26)27/h4-11H,3,12H2,1-2H3,(H,20,25)