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

Systemtic Name: 2-[4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]butyl]isoindoline-1,3-quinone Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CN=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CN=CC=C4

InChI

InChI=1S/C20H19N5O2S/c1-24-17(14-7-6-10-21-13-14)22-23-20(24)28-12-5-4-11-25-18(26)15-8-2-3-9-16(15)19(25)27/h2-3,6-10,13H,4-5,11-12H2,1H3