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

Systemtic Name: 2-[4-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]butyl]isoindoline-1,3-quinone Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCCCN2C(=O)C3=CC=CC=C3C2=O)C4CC4

Isomeric SMILES

C=CCN1C(=NN=C1SCCCCN2C(=O)C3=CC=CC=C3C2=O)C4CC4

InChI

InChI=1S/C20H22N4O2S/c1-2-11-23-17(14-9-10-14)21-22-20(23)27-13-6-5-12-24-18(25)15-7-3-4-8-16(15)19(24)26/h2-4,7-8,14H,1,5-6,9-13H2