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

Systemtic Name: 2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]butyl]isoindoline-1,3-quinone Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCCN2C(=O)C3=CC=CC=C3C2=O)C4CC4

Isomeric SMILES

CN1C(=NN=C1SCCCCN2C(=O)C3=CC=CC=C3C2=O)C4CC4

InChI

InChI=1S/C18H20N4O2S/c1-21-15(12-8-9-12)19-20-18(21)25-11-5-4-10-22-16(23)13-6-2-3-7-14(13)17(22)24/h2-3,6-7,12H,4-5,8-11H2,1H3