2-[4-[(1-tert-butyl-5-chloranyl-6-oxidanylidene-pyridazin-4-yl)sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(1-tert-butyl-5-chloranyl-6-oxidanylidene-pyridazin-4-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(1-tert-butyl-5-chloro-6-oxo-pyridazin-4-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(1-tert-butyl-5-chloro-6-oxo-4-pyridazinyl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(1-tert-butyl-5-chloro-6-oxopyridazin-4-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(1-tert-butyl-5-chloro-6-keto-pyridazin-4-yl)thio]methyl]phenyl]benzonitrile Formula: C22H20ClN3OS MolecularWeight: 409.9317

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)Cl

InChI

InChI=1S/C22H20ClN3OS/c1-22(2,3)26-21(27)20(23)19(13-25-26)28-14-15-8-10-16(11-9-15)18-7-5-4-6-17(18)12-24/h4-11,13H,14H2,1-3H3