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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C25H27ClN4O2S MolecularWeight: 483.02548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H27ClN4O2S/c1-2-3-4-5-6-9-16-29-22(18-12-14-19(26)15-13-18)27-28-25(29)33-17-30-23(31)20-10-7-8-11-21(20)24(30)32/h7-8,10-15H,2-6,9,16-17H2,1H3