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

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

CC1=NN=C(N1C2=CC=CC=C2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

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