3-[(1-tert-butyl-5-chloranyl-6-oxidanylidene-pyridazin-4-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(1-tert-butyl-5-chloranyl-6-oxidanylidene-pyridazin-4-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(1-tert-butyl-5-chloro-6-oxo-pyridazin-4-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(1-tert-butyl-5-chloro-6-oxo-4-pyridazinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(1-tert-butyl-5-chloro-6-oxopyridazin-4-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(1-tert-butyl-5-chloro-6-keto-pyridazin-4-yl)thio]methyl]benzonitrile Formula: C16H16ClN3OS MolecularWeight: 333.83574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3OS/c1-16(2,3)20-15(21)14(17)13(9-19-20)22-10-12-6-4-5-11(7-12)8-18/h4-7,9H,10H2,1-3H3