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

Systemtic Name: 2-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H16N4O2S/c1-13-20-21-19(23(13)14-7-3-2-4-8-14)26-12-11-22-17(24)15-9-5-6-10-16(15)18(22)25/h2-10H,11-12H2,1H3