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

Systemtic Name: 2-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]butyl]isoindoline-1,3-quinone Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H24N4O2S/c1-13(2)17-21-22-20(24(17)14-9-10-14)27-12-6-5-11-23-18(25)15-7-3-4-8-16(15)19(23)26/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3