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

Systemtic Name: 2-[2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCCN2C(=O)C3=CC=CC=C3C2=O)C4=CN=CC=C4

InChI

InChI=1S/C20H17N5O2S/c1-2-10-24-17(14-6-5-9-21-13-14)22-23-20(24)28-12-11-25-18(26)15-7-3-4-8-16(15)19(25)27/h2-9,13H,1,10-12H2