2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])COC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])COC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O4S/c1-2-22-18(12-27-16-9-4-3-5-10-16)20-21-19(22)28-13-17(24)14-7-6-8-15(11-14)23(25)26/h3-11H,2,12-13H2,1H3