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

Systemtic Name: 2-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]butyl]isoindoline-1,3-quinone Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H22N4O2S/c28-21-18-10-4-5-11-19(18)22(29)26(21)14-6-7-15-30-23-25-24-20(16-12-13-16)27(23)17-8-2-1-3-9-17/h1-5,8-11,16H,6-7,12-15H2