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

Systemtic Name: 2-[3-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]propyl]isoindoline-1,3-quinone Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCN1C(=O)NN=C1SCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H18N4O3S/c1-2-8-20-15(23)17-18-16(20)24-10-5-9-19-13(21)11-6-3-4-7-12(11)14(19)22/h3-4,6-7H,2,5,8-10H2,1H3,(H,17,23)