(E)-1,3-bis(5-azanyl-1,2,4-triazol-1-yl)prop-2-en-1-one

Systemtic Name: (E)-1,3-bis(5-azanyl-1,2,4-triazol-1-yl)prop-2-en-1-one Openeye Name: (E)-1,3-bis(5-amino-1,2,4-triazol-1-yl)prop-2-en-1-one CAS Name: (E)-1,3-bis(5-amino-1,2,4-triazol-1-yl)-2-propen-1-one IUPAC Name: (E)-1,3-bis(5-amino-1,2,4-triazol-1-yl)prop-2-en-1-one Traditional Name: (E)-1,3-bis(5-amino-1,2,4-triazol-1-yl)prop-2-en-1-one Formula: C7H8N8O MolecularWeight: 220.19142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C(=N1)N)C=CC(=O)N2C(=NC=N2)N

Isomeric SMILES

C1=NN(C(=N1)N)/C=C/C(=O)N2C(=NC=N2)N

InChI

InChI=1S/C7H8N8O/c8-6-10-3-12-14(6)2-1-5(16)15-7(9)11-4-13-15/h1-4H,(H2,8,10,12)(H2,9,11,13)/b2-1+