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

Systemtic Name: 2-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)C4CC4

Isomeric SMILES

C=CCN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)C4CC4

InChI

InChI=1S/C18H18N4O2S/c1-2-9-21-15(12-7-8-12)19-20-18(21)25-11-10-22-16(23)13-5-3-4-6-14(13)17(22)24/h2-6,12H,1,7-11H2