4-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(2-methyl-1,3-dioxo-isoindolin-5-yl)-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-(2-methyl-1,3-dioxo-5-isoindolyl)-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-methyl-1,3-dioxoisoindol-5-yl)-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(1,3-diketo-2-methyl-isoindolin-5-yl)-5-propyl-1,2,4-triazole-3-thiolate Formula: C14H13N4O2S- MolecularWeight: 301.34362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC3=C(C=C2)C(=O)N(C3=O)C)[S-]

Isomeric SMILES

CCCC1=NN=C(N1C2=CC3=C(C=C2)C(=O)N(C3=O)C)[S-]

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)/p-1