2-[3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propyl]isoindoline-1,3-quinone Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCCN2C(=O)C3=CC=CC=C3C2=O)C4CC4

Isomeric SMILES

C=CCN1C(=NN=C1SCCCN2C(=O)C3=CC=CC=C3C2=O)C4CC4

InChI

InChI=1S/C19H20N4O2S/c1-2-10-22-16(13-8-9-13)20-21-19(22)26-12-5-11-23-17(24)14-6-3-4-7-15(14)18(23)25/h2-4,6-7,13H,1,5,8-12H2