2-methyl-5-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione

Systemtic Name: 2-methyl-5-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione Openeye Name: 2-methyl-5-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)isoindoline-1,3-dione CAS Name: 2-methyl-5-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione IUPAC Name: 2-methyl-5-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione Traditional Name: 2-methyl-5-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)isoindoline-1,3-quinone Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1C2=CC3=C(C=C2)C(=O)N(C3=O)C

Isomeric SMILES

CCCC1=NNC(=S)N1C2=CC3=C(C=C2)C(=O)N(C3=O)C

InChI

InChI=1S/C14H14N4O2S/c1-3-4-11-15-16-14(21)18(11)8-5-6-9-10(7-8)13(20)17(2)12(9)19/h5-7H,3-4H2,1-2H3,(H,16,21)