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

Systemtic Name: 2-[[3-methoxy-4-oxidanyl-5-(phenylsulfanylmethyl)phenyl]methylidene]propanedinitrile Openeye Name: 2-[[4-hydroxy-3-methoxy-5-(phenylsulfanylmethyl)phenyl]methylene]propanedinitrile CAS Name: 2-[[4-hydroxy-3-methoxy-5-[(phenylthio)methyl]phenyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-hydroxy-3-methoxy-5-(phenylsulfanylmethyl)phenyl]methylidene]propanedinitrile Traditional Name: 2-[4-hydroxy-3-methoxy-5-[(phenylthio)methyl]benzylidene]malononitrile Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CSC2=CC=CC=C2)C=C(C#N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1O)CSC2=CC=CC=C2)C=C(C#N)C#N

InChI

InChI=1S/C18H14N2O2S/c1-22-17-9-13(7-14(10-19)11-20)8-15(18(17)21)12-23-16-5-3-2-4-6-16/h2-9,21H,12H2,1H3