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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H14N4O3S/c1-25-12-8-6-11(7-9-12)15-19-18(21-20-15)26-10-22-16(23)13-4-2-3-5-14(13)17(22)24/h2-9H,10H2,1H3,(H,19,20,21)