2-azanyl-4,4-dibutoxy-6-(4-methylsulfanylphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

Systemtic Name: 2-azanyl-4,4-dibutoxy-6-(4-methylsulfanylphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-4,4-dibutoxy-6-(4-methylsulfanylphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-4,4-dibutoxy-6-[4-(methylthio)phenyl]-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-4,4-dibutoxy-6-(4-methylsulfanylphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-4,4-dibutoxy-6-[4-(methylthio)phenyl]-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC=C(C=C3)SC)C#N)OCCCC

Isomeric SMILES

CCCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC=C(C=C3)SC)C#N)OCCCC

InChI

InChI=1S/C22H28N4O2S/c1-4-6-12-27-22(28-13-7-5-2)21(15-24)18(20(21,14-23)19(25)26-22)16-8-10-17(29-3)11-9-16/h8-11,18H,4-7,12-13H2,1-3H3,(H2,25,26)