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

Systemtic Name: 2-[3-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[(4-allyl-1,2,4-triazol-3-yl)thio]propyl]isoindoline-1,3-quinone Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2S/c1-2-8-19-11-17-18-16(19)23-10-5-9-20-14(21)12-6-3-4-7-13(12)15(20)22/h2-4,6-7,11H,1,5,8-10H2