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

Systemtic Name: 4-[[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione Openeye Name: 4-[[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]methylene]-2-(2-pyridyl)isoquinoline-1,3-dione CAS Name: 4-[[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]methylidene]-2-(2-pyridinyl)isoquinoline-1,3-dione IUPAC Name: 4-[[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]methylidene]-2-pyridin-2-ylisoquinoline-1,3-dione Traditional Name: 4-[[(5-amyl-1,3,4-thiadiazol-2-yl)amino]methylene]-2-(2-pyridyl)isoquinoline-1,3-quinone Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

CCCCCC1=NN=C(S1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C22H21N5O2S/c1-2-3-4-12-19-25-26-22(30-19)24-14-17-15-9-5-6-10-16(15)20(28)27(21(17)29)18-11-7-8-13-23-18/h5-11,13-14H,2-4,12H2,1H3,(H,24,26)