2-azanyl-6-(2,4-dimethylphenyl)-4,4-bis(propylsulfanyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(2,4-dimethylphenyl)-4,4-bis(propylsulfanyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-6-(2,4-dimethylphenyl)-4,4-bis(propylsulfanyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-6-(2,4-dimethylphenyl)-4,4-bis(propylthio)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-6-(2,4-dimethylphenyl)-4,4-bis(propylsulfanyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-6-(2,4-dimethylphenyl)-4,4-bis(propylthio)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C21H26N4S2 MolecularWeight: 398.58794

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1(C2(C(C2(C(=N1)N)C#N)C3=C(C=C(C=C3)C)C)C#N)SCCC

Isomeric SMILES

CCCSC1(C2(C(C2(C(=N1)N)C#N)C3=C(C=C(C=C3)C)C)C#N)SCCC

InChI

InChI=1S/C21H26N4S2/c1-5-9-26-21(27-10-6-2)20(13-23)17(19(20,12-22)18(24)25-21)16-8-7-14(3)11-15(16)4/h7-8,11,17H,5-6,9-10H2,1-4H3,(H2,24,25)