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

Systemtic Name: 2-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]butyl]isoindoline-1,3-quinone Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-24-18(15-9-3-2-4-10-15)22-23-21(24)28-14-8-7-13-25-19(26)16-11-5-6-12-17(16)20(25)27/h2-6,9-12H,7-8,13-14H2,1H3