2-[3-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]propyl]isoindoline-1,3-quinone Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCN1C(=O)NN=C1SCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H20N4O3S/c1-2-3-9-21-16(24)18-19-17(21)25-11-6-10-20-14(22)12-7-4-5-8-13(12)15(20)23/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,18,24)