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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN4O2S/c1-2-3-4-7-14-27-20(16-10-12-17(24)13-11-16)25-26-23(27)31-15-28-21(29)18-8-5-6-9-19(18)22(28)30/h5-6,8-13H,2-4,7,14-15H2,1H3