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

Systemtic Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=CC=C3C

InChI

InChI=1S/C20H20N4O3S/c1-4-23-19(16-8-6-5-7-13(16)2)21-22-20(23)28-12-18(25)15-10-9-14(3)17(11-15)24(26)27/h5-11H,4,12H2,1-3H3