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

Systemtic Name: (4E)-4-[[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione Openeye Name: (4E)-4-[[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]methylene]-2-(2-pyridyl)isoquinoline-1,3-dione CAS Name: (4E)-4-[[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]methylidene]-2-(2-pyridinyl)isoquinoline-1,3-dione IUPAC Name: (4E)-4-[[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]methylidene]-2-pyridin-2-ylisoquinoline-1,3-dione Traditional Name: (4E)-4-[[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]methylene]-2-(2-pyridyl)isoquinoline-1,3-quinone Formula: C20H15N5O2S MolecularWeight: 389.4304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(S2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)C5=CC=CC=N5

Isomeric SMILES

C1CC1C2=NN=C(S2)N/C=C/3\C4=CC=CC=C4C(=O)N(C3=O)C5=CC=CC=N5

InChI

InChI=1S/C20H15N5O2S/c26-18-14-6-2-1-5-13(14)15(19(27)25(18)16-7-3-4-10-21-16)11-22-20-24-23-17(28-20)12-8-9-12/h1-7,10-12H,8-9H2,(H,22,24)/b15-11+