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

Systemtic Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C19H18N6O5S MolecularWeight: 442.44842

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O5S/c1-3-23-18(13-5-8-14(9-6-13)24(27)28)21-22-19(23)31-11-17(26)20-16-10-15(25(29)30)7-4-12(16)2/h4-10H,3,11H2,1-2H3,(H,20,26)