2-[deuterio(1,2,4-triazol-1-yl)amino]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[deuterio(1,2,4-triazol-1-yl)amino]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[deuterio(1,2,4-triazol-1-yl)amino]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[deuterio(1,2,4-triazol-1-yl)amino]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[deuterio(1,2,4-triazol-1-yl)amino]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-[deuterio(1,2,4-triazol-1-yl)amino]cyclohepta-2,4,6-trien-1-one Formula: C9H8N4O MolecularWeight: 189.192182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=O)C=C1)NN2C=NC=N2

Isomeric SMILES

[2H]N(C1=CC=CC=CC1=O)N2C=NC=N2

InChI

InChI=1S/C9H8N4O/c14-9-5-3-1-2-4-8(9)12-13-7-10-6-11-13/h1-7H,(H,12,14)/i/hD