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

Systemtic Name: 2-[3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]isoindoline-1,3-quinone Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-2-13-25-19(16-9-4-3-5-10-16)23-24-22(25)29-15-8-14-26-20(27)17-11-6-7-12-18(17)21(26)28/h2-7,9-12H,1,8,13-15H2