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

Systemtic Name: 2-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)C4CC4

Isomeric SMILES

CN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)C4CC4

InChI

InChI=1S/C16H16N4O2S/c1-19-13(10-6-7-10)17-18-16(19)23-9-8-20-14(21)11-4-2-3-5-12(11)15(20)22/h2-5,10H,6-9H2,1H3