2-[[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl-ethyl-amino]-2-methyl-phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl-ethyl-amino]-2-methyl-phenyl]methylidene]propanedinitrile Openeye Name: 2-[[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl-ethyl-amino]-2-methyl-phenyl]methylene]propanedinitrile CAS Name: 2-[[4-[2-(1,3-benzothiazol-2-ylthio)ethyl-ethylamino]-2-methylphenyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl-ethylamino]-2-methylphenyl]methylidene]propanedinitrile Traditional Name: 2-[4-[2-(1,3-benzothiazol-2-ylthio)ethyl-ethyl-amino]-2-methyl-benzylidene]malononitrile Formula: C22H20N4S2 MolecularWeight: 404.551

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCSC1=NC2=CC=CC=C2S1)C3=CC(=C(C=C3)C=C(C#N)C#N)C

Isomeric SMILES

CCN(CCSC1=NC2=CC=CC=C2S1)C3=CC(=C(C=C3)C=C(C#N)C#N)C

InChI

InChI=1S/C22H20N4S2/c1-3-26(10-11-27-22-25-20-6-4-5-7-21(20)28-22)19-9-8-18(16(2)12-19)13-17(14-23)15-24/h4-9,12-13H,3,10-11H2,1-2H3