2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H18N4O3S/c1-3-23-17(13-8-10-14(27-2)11-9-13)21-22-20(23)28-12-24-18(25)15-6-4-5-7-16(15)19(24)26/h4-11H,3,12H2,1-2H3