2-(5-chloranylpyridin-2-yl)-4-[(1H-1,2,4-triazol-5-ylamino)methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(5-chloranylpyridin-2-yl)-4-[(1H-1,2,4-triazol-5-ylamino)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(5-chloro-2-pyridyl)-4-[(1H-1,2,4-triazol-5-ylamino)methylene]isoquinoline-1,3-dione CAS Name: 2-(5-chloro-2-pyridinyl)-4-[(1H-1,2,4-triazol-5-ylamino)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(5-chloropyridin-2-yl)-4-[(1H-1,2,4-triazol-5-ylamino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(5-chloro-2-pyridyl)-4-[(1H-1,2,4-triazol-5-ylamino)methylene]isoquinoline-1,3-quinone Formula: C17H11ClN6O2 MolecularWeight: 366.76124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC3=NC=NN3)C(=O)N(C2=O)C4=NC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNC3=NC=NN3)C(=O)N(C2=O)C4=NC=C(C=C4)Cl

InChI

InChI=1S/C17H11ClN6O2/c18-10-5-6-14(19-7-10)24-15(25)12-4-2-1-3-11(12)13(16(24)26)8-20-17-21-9-22-23-17/h1-9H,(H2,20,21,22,23)