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

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-methoxy-3-nitro-phenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methoxy-3-nitrophenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methoxy-3-nitrophenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-methoxy-3-nitro-phenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])COC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])COC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O5S/c1-22-18(11-28-14-6-4-3-5-7-14)20-21-19(22)29-12-16(24)13-8-9-17(27-2)15(10-13)23(25)26/h3-10H,11-12H2,1-2H3