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

Systemtic Name: 2-azanyl-4,4-bis(butylsulfanyl)-6-(3-fluorophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-4,4-bis(butylsulfanyl)-6-(3-fluorophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-4,4-bis(butylthio)-6-(3-fluorophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-4,4-bis(butylsulfanyl)-6-(3-fluorophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-4,4-bis(butylthio)-6-(3-fluorophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C21H25FN4S2 MolecularWeight: 416.578403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1(C2(C(C2(C(=N1)N)C#N)C3=CC(=CC=C3)F)C#N)SCCCC

Isomeric SMILES

CCCCSC1(C2(C(C2(C(=N1)N)C#N)C3=CC(=CC=C3)F)C#N)SCCCC

InChI

InChI=1S/C21H25FN4S2/c1-3-5-10-27-21(28-11-6-4-2)20(14-24)17(15-8-7-9-16(22)12-15)19(20,13-23)18(25)26-21/h7-9,12,17H,3-6,10-11H2,1-2H3,(H2,25,26)