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

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-chloro-3-nitro-phenyl)-2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-chloro-3-nitrophenyl)-2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-chloro-3-nitrophenyl)-2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-chloro-3-nitro-phenyl)-2-[(4-ethyl-5-veratryl-1,2,4-triazol-3-yl)thio]ethanone Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H21ClN4O5S/c1-4-25-20(10-13-5-8-18(30-2)19(9-13)31-3)23-24-21(25)32-12-17(27)14-6-7-15(22)16(11-14)26(28)29/h5-9,11H,4,10,12H2,1-3H3