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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN4O3S/c1-4-19-14(9(2)3)17-18-15(19)24-8-13(21)11-7-10(20(22)23)5-6-12(11)16/h5-7,9H,4,8H2,1-3H3