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

Systemtic Name: 2-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H18N4O2S/c26-19-16-8-4-5-9-17(16)20(27)24(19)12-13-28-21-23-22-18(14-10-11-14)25(21)15-6-2-1-3-7-15/h1-9,14H,10-13H2