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

Systemtic Name: 2-[2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C15H14N4O3S/c20-12-10-3-1-2-4-11(10)13(21)18(12)7-8-23-15-17-16-14(22)19(15)9-5-6-9/h1-4,9H,5-8H2,(H,16,22)