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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCN1C(=O)NN=C1SCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H20N4O3S/c1-2-9-21-16(24)18-19-17(21)25-11-6-5-10-20-14(22)12-7-3-4-8-13(12)15(20)23/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,18,24)