3-oxidanylidene-6-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindol-1-olate

Systemtic Name: 3-oxidanylidene-6-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindol-1-olate Openeye Name: 3-oxo-6-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)isoindol-1-olate CAS Name: 3-oxo-6-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-isoindololate IUPAC Name: 3-oxo-6-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindol-1-olate Traditional Name: 3-keto-6-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)isoindol-1-olate Formula: C13H11N4O2S- MolecularWeight: 287.31704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O2S/c1-2-3-10-15-16-13(20)17(10)7-4-5-8-9(6-7)12(19)14-11(8)18/h4-6H,2-3H2,1H3,(H,16,20)(H,14,18,19)/p-1