2-[3-(5-azanyl-1,3,4-thiadiazol-2-yl)propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(5-azanyl-1,3,4-thiadiazol-2-yl)propyl]isoindole-1,3-dione Openeye Name: 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]isoindoline-1,3-quinone Formula: C13H12N4O2S MolecularWeight: 288.32498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NN=C(S3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NN=C(S3)N

InChI

InChI=1S/C13H12N4O2S/c14-13-16-15-10(20-13)6-3-7-17-11(18)8-4-1-2-5-9(8)12(17)19/h1-2,4-5H,3,6-7H2,(H2,14,16)