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

Systemtic Name: 2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]isoindoline-1,3-quinone Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCN1C(=O)NN=C1SCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H14N4O3S/c1-2-7-17-13(21)15-16-14(17)22-8-18-11(19)9-5-3-4-6-10(9)12(18)20/h3-6H,2,7-8H2,1H3,(H,15,21)