2-(4-butoxyphenyl)-6-(4-chlorophenyl)sulfanyl-5-methyl-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 2-(4-butoxyphenyl)-6-(4-chlorophenyl)sulfanyl-5-methyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-(4-butoxyphenyl)-6-(4-chlorophenyl)sulfanyl-5-methyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-(4-butoxyphenyl)-6-[(4-chlorophenyl)thio]-5-methyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-(4-butoxyphenyl)-6-(4-chlorophenyl)sulfanyl-5-methyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-(4-butoxyphenyl)-6-[(4-chlorophenyl)thio]-3-keto-5-methyl-pyridazine-4-carbonitrile Formula: C22H20ClN3O2S MolecularWeight: 425.9311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=O)C(=C(C(=N2)SC3=CC=C(C=C3)Cl)C)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=O)C(=C(C(=N2)SC3=CC=C(C=C3)Cl)C)C#N

InChI

InChI=1S/C22H20ClN3O2S/c1-3-4-13-28-18-9-7-17(8-10-18)26-22(27)20(14-24)15(2)21(25-26)29-19-11-5-16(23)6-12-19/h5-12H,3-4,13H2,1-2H3