2-tert-butyl-4-chloranyl-5-(2,5-dimethylphenyl)sulfanyl-4H-pyridazin-2-ium-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-(2,5-dimethylphenyl)sulfanyl-4H-pyridazin-2-ium-3-one Openeye Name: 2-tert-butyl-4-chloro-5-(2,5-dimethylphenyl)sulfanyl-4H-pyridazin-2-ium-3-one CAS Name: 2-tert-butyl-4-chloro-5-[(2,5-dimethylphenyl)thio]-4H-pyridazin-2-ium-3-one IUPAC Name: 2-tert-butyl-4-chloro-5-(2,5-dimethylphenyl)sulfanyl-4H-pyridazin-2-ium-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[(2,5-dimethylphenyl)thio]-4H-pyridazin-2-ium-3-one Formula: C16H20ClN2OS+ MolecularWeight: 323.8608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CN=[N+](C(=O)C2Cl)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CN=[N+](C(=O)C2Cl)C(C)(C)C

InChI

InChI=1S/C16H20ClN2OS/c1-10-6-7-11(2)12(8-10)21-13-9-18-19(16(3,4)5)15(20)14(13)17/h6-9,14H,1-5H3/q+1