2-[4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NC(=NN12)SCCCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=CC(=NC2=NC(=NN12)SCCCCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C19H19N5O2S/c1-12-11-13(2)24-18(20-12)21-19(22-24)27-10-6-5-9-23-16(25)14-7-3-4-8-15(14)17(23)26/h3-4,7-8,11H,5-6,9-10H2,1-2H3