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

Systemtic Name: (4E)-4-[(1H-1,2,4-triazol-5-ylamino)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-4-[(1H-1,2,4-triazol-5-ylamino)methylene]isoquinoline-1,3-dione CAS Name: (4E)-4-[(1H-1,2,4-triazol-5-ylamino)methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-4-[(1H-1,2,4-triazol-5-ylamino)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-[(1H-1,2,4-triazol-5-ylamino)methylene]isoquinoline-1,3-quinone Formula: C12H9N5O2 MolecularWeight: 255.23216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC3=NC=NN3)C(=O)NC2=O

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C\NC3=NC=NN3)/C(=O)NC2=O

InChI

InChI=1S/C12H9N5O2/c18-10-8-4-2-1-3-7(8)9(11(19)16-10)5-13-12-14-6-15-17-12/h1-6H,(H,16,18,19)(H2,13,14,15,17)/b9-5+