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

Systemtic Name: 2-[4-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]butyl]isoindoline-1,3-quinone Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H18N4O3S/c22-14-12-5-1-2-6-13(12)15(23)20(14)9-3-4-10-25-17-19-18-16(24)21(17)11-7-8-11/h1-2,5-6,11H,3-4,7-10H2,(H,18,24)