4-[[(5-butyl-1,3,4-thiadiazol-2-yl)amino]methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione

Systemtic Name: 4-[[(5-butyl-1,3,4-thiadiazol-2-yl)amino]methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione Openeye Name: 4-[[(5-butyl-1,3,4-thiadiazol-2-yl)amino]methylene]-2-(2-pyridyl)isoquinoline-1,3-dione CAS Name: 4-[[(5-butyl-1,3,4-thiadiazol-2-yl)amino]methylidene]-2-(2-pyridinyl)isoquinoline-1,3-dione IUPAC Name: 4-[[(5-butyl-1,3,4-thiadiazol-2-yl)amino]methylidene]-2-pyridin-2-ylisoquinoline-1,3-dione Traditional Name: 4-[[(5-butyl-1,3,4-thiadiazol-2-yl)amino]methylene]-2-(2-pyridyl)isoquinoline-1,3-quinone Formula: C21H19N5O2S MolecularWeight: 405.47286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

CCCCC1=NN=C(S1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C21H19N5O2S/c1-2-3-11-18-24-25-21(29-18)23-13-16-14-8-4-5-9-15(14)19(27)26(20(16)28)17-10-6-7-12-22-17/h4-10,12-13H,2-3,11H2,1H3,(H,23,25)