1-(2-chloranyl-5-nitro-phenyl)-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2-chloro-5-nitro-phenyl)-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2-chloro-5-nitrophenyl)-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2-chloro-5-nitrophenyl)-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2-chloro-5-nitro-phenyl)-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C15H17ClN4O3S MolecularWeight: 368.83848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC)SCC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC1=NN=C(N1CC)SCC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H17ClN4O3S/c1-3-5-14-17-18-15(19(14)4-2)24-9-13(21)11-8-10(20(22)23)6-7-12(11)16/h6-8H,3-5,9H2,1-2H3