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

Systemtic Name: 2-azanyl-4,4-bis(butylsulfanyl)-6-pyridin-4-yl-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-4,4-bis(butylsulfanyl)-6-(4-pyridyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-4,4-bis(butylthio)-6-pyridin-4-yl-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-4,4-bis(butylsulfanyl)-6-pyridin-4-yl-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-4,4-bis(butylthio)-6-(4-pyridyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C20H25N5S2 MolecularWeight: 399.576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5S2/c1-3-5-11-26-20(27-12-6-4-2)19(14-22)16(15-7-9-24-10-8-15)18(19,13-21)17(23)25-20/h7-10,16H,3-6,11-12H2,1-2H3,(H2,23,25)