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

Systemtic Name: 2-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]butyl]isoindoline-1,3-quinone Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC1C2=NC(=NN2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H18N4O2S/c22-15-12-5-1-2-6-13(12)16(23)21(15)9-3-4-10-24-17-18-14(19-20-17)11-7-8-11/h1-2,5-6,11H,3-4,7-10H2,(H,18,19,20)