2-[[3-methoxy-5-[(4-methylphenyl)sulfonylmethyl]-4-oxidanyl-phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[3-methoxy-5-[(4-methylphenyl)sulfonylmethyl]-4-oxidanyl-phenyl]methylidene]propanedinitrile Openeye Name: 2-[[4-hydroxy-3-methoxy-5-(p-tolylsulfonylmethyl)phenyl]methylene]propanedinitrile CAS Name: 2-[[4-hydroxy-3-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-hydroxy-3-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methylidene]propanedinitrile Traditional Name: 2-[4-hydroxy-3-methoxy-5-(tosylmethyl)benzylidene]malononitrile Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C(=CC(=C2)C=C(C#N)C#N)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C(=CC(=C2)C=C(C#N)C#N)OC)O

InChI

InChI=1S/C19H16N2O4S/c1-13-3-5-17(6-4-13)26(23,24)12-16-8-14(7-15(10-20)11-21)9-18(25-2)19(16)22/h3-9,22H,12H2,1-2H3