(5Z)-2-tert-butyl-4-chloranyl-5-(1,2,4-triazol-1-ium-1-ylidene)pyridazin-3-one

Systemtic Name: (5Z)-2-tert-butyl-4-chloranyl-5-(1,2,4-triazol-1-ium-1-ylidene)pyridazin-3-one Openeye Name: (5Z)-2-tert-butyl-4-chloro-5-(1,2,4-triazol-1-ium-1-ylidene)pyridazin-3-one CAS Name: (5Z)-2-tert-butyl-4-chloro-5-(1,2,4-triazol-1-ium-1-ylidene)-3-pyridazinone IUPAC Name: (5Z)-2-tert-butyl-4-chloro-5-(1,2,4-triazol-1-ium-1-ylidene)pyridazin-3-one Traditional Name: (5Z)-2-tert-butyl-4-chloro-5-(1,2,4-triazol-1-ium-1-ylidene)pyridazin-3-one Formula: C10H13ClN5O+ MolecularWeight: 254.69612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(C(=[N+]2C=NC=N2)C=N1)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(/C(=[N+]\2/C=NC=N2)/C=N1)Cl

InChI

InChI=1S/C10H13ClN5O/c1-10(2,3)16-9(17)8(11)7(4-13-16)15-6-12-5-14-15/h4-6,8H,1-3H3/q+1