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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C13H14ClN5O3S MolecularWeight: 355.79996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN5O3S/c1-3-18-8(2)16-17-13(18)23-7-12(20)15-11-6-9(19(21)22)4-5-10(11)14/h4-6H,3,7H2,1-2H3,(H,15,20)