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

Systemtic Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-nitro-phenyl)ethanone Openeye Name: 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-nitro-phenyl)ethanone CAS Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxy-3-nitrophenyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-nitrophenyl)ethanone Traditional Name: 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxy-3-nitro-phenyl)ethanone Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c1-4-23-19(15-8-6-5-7-13(15)2)21-22-20(23)29-12-17(25)14-9-10-18(28-3)16(11-14)24(26)27/h5-11H,4,12H2,1-3H3