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

Systemtic Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H22N4O3S/c1-3-4-13-25-19(15-9-11-16(29-2)12-10-15)23-24-22(25)30-14-26-20(27)17-7-5-6-8-18(17)21(26)28/h5-12H,3-4,13-14H2,1-2H3