3-[2-chloranyl-5-[(6-oxidanylidene-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylsulfonyl-benzenecarbonitrile

Systemtic Name: 3-[2-chloranyl-5-[(6-oxidanylidene-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylsulfonyl-benzenecarbonitrile Openeye Name: 3-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylsulfonyl-benzonitrile CAS Name: 3-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylsulfonylbenzonitrile IUPAC Name: 3-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-4-methylsulfonylbenzonitrile Traditional Name: 3-[2-chloro-5-[(6-keto-1H-pyridazin-3-yl)methyl]phenoxy]-4-mesyl-benzonitrile Formula: C19H14ClN3O4S MolecularWeight: 415.85016

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C#N)OC2=C(C=CC(=C2)CC3=NNC(=O)C=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C#N)OC2=C(C=CC(=C2)CC3=NNC(=O)C=C3)Cl

InChI

InChI=1S/C19H14ClN3O4S/c1-28(25,26)18-6-3-13(11-21)10-17(18)27-16-9-12(2-5-15(16)20)8-14-4-7-19(24)23-22-14/h2-7,9-10H,8H2,1H3,(H,23,24)