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

Systemtic Name: 4-[[(5-nitro-1,3-thiazol-2-yl)amino]methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione Openeye Name: 4-[[(5-nitrothiazol-2-yl)amino]methylene]-2-(2-pyridyl)isoquinoline-1,3-dione CAS Name: 4-[[(5-nitro-2-thiazolyl)amino]methylidene]-2-(2-pyridinyl)isoquinoline-1,3-dione IUPAC Name: 4-[[(5-nitro-1,3-thiazol-2-yl)amino]methylidene]-2-pyridin-2-ylisoquinoline-1,3-dione Traditional Name: 4-[[(5-nitrothiazol-2-yl)amino]methylene]-2-(2-pyridyl)isoquinoline-1,3-quinone Formula: C18H11N5O4S MolecularWeight: 393.37604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC3=NC=C(S3)[N+](=O)[O-])C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNC3=NC=C(S3)[N+](=O)[O-])C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C18H11N5O4S/c24-16-12-6-2-1-5-11(12)13(9-20-18-21-10-15(28-18)23(26)27)17(25)22(16)14-7-3-4-8-19-14/h1-10H,(H,20,21)