2-[4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(1-phenyl-1,2,4-triazol-3-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(1-phenyl-1,2,4-triazol-3-yl)thio]butyl]isoindoline-1,3-quinone Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H18N4O2S/c25-18-16-10-4-5-11-17(16)19(26)23(18)12-6-7-13-27-20-21-14-24(22-20)15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2