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

Systemtic Name: 5-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione Openeye Name: 5-(3-isopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)isoindoline-1,3-dione CAS Name: 5-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione IUPAC Name: 5-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)isoindole-1,3-dione Traditional Name: 5-(3-isopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)isoindoline-1,3-quinone Formula: C13H12N4O2S MolecularWeight: 288.32498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=S)N1C2=CC3=C(C=C2)C(=O)NC3=O

Isomeric SMILES

CC(C)C1=NNC(=S)N1C2=CC3=C(C=C2)C(=O)NC3=O

InChI

InChI=1S/C13H12N4O2S/c1-6(2)10-15-16-13(20)17(10)7-3-4-8-9(5-7)12(19)14-11(8)18/h3-6H,1-2H3,(H,16,20)(H,14,18,19)