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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCN1C(=O)NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H18N4O3S/c1-2-3-8-20-15(23)17-18-16(20)24-10-9-19-13(21)11-6-4-5-7-12(11)14(19)22/h4-7H,2-3,8-10H2,1H3,(H,17,23)