2-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCC1=NC(=NN1)SCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H16N4O2S/c1-2-5-12-16-15(18-17-12)22-9-8-19-13(20)10-6-3-4-7-11(10)14(19)21/h3-4,6-7H,2,5,8-9H2,1H3,(H,16,17,18)