2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)sulfonyl-ethanamide

Systemtic Name: 2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)sulfonyl-ethanamide Openeye Name: 2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)sulfonyl-acetamide CAS Name: 2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)sulfonylacetamide IUPAC Name: 2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)sulfonylacetamide Traditional Name: 2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)sulfonyl-acetamide Formula: C18H17N5O5S2 MolecularWeight: 447.48808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C=NN=C2SCC(=O)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1N2C=NN=C2SCC(=O)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5S2/c1-2-13-7-3-4-8-14(13)22-12-19-20-18(22)29-11-17(24)21-30(27,28)16-10-6-5-9-15(16)23(25)26/h3-10,12H,2,11H2,1H3,(H,21,24)