N-[4-[2-azanyl-1,5-dicyano-4,4-bis(ethylsulfanyl)-3-azabicyclo[3.1.0]hex-2-en-6-yl]phenyl]ethanamide

Systemtic Name: N-[4-[2-azanyl-1,5-dicyano-4,4-bis(ethylsulfanyl)-3-azabicyclo[3.1.0]hex-2-en-6-yl]phenyl]ethanamide Openeye Name: N-[4-[2-amino-1,5-dicyano-4,4-bis(ethylsulfanyl)-3-azabicyclo[3.1.0]hex-2-en-6-yl]phenyl]acetamide CAS Name: N-[4-[2-amino-1,5-dicyano-4,4-bis(ethylthio)-3-azabicyclo[3.1.0]hex-2-en-6-yl]phenyl]acetamide IUPAC Name: N-[4-[2-amino-1,5-dicyano-4,4-bis(ethylsulfanyl)-3-azabicyclo[3.1.0]hex-2-en-6-yl]phenyl]acetamide Traditional Name: N-[4-[2-amino-1,5-dicyano-4,4-bis(ethylthio)-3-azabicyclo[3.1.0]hex-2-en-6-yl]phenyl]acetamide Formula: C19H21N5OS2 MolecularWeight: 399.53294

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1(C2(C(C2(C(=N1)N)C#N)C3=CC=C(C=C3)NC(=O)C)C#N)SCC

Isomeric SMILES

CCSC1(C2(C(C2(C(=N1)N)C#N)C3=CC=C(C=C3)NC(=O)C)C#N)SCC

InChI

InChI=1S/C19H21N5OS2/c1-4-26-19(27-5-2)18(11-21)15(17(18,10-20)16(22)24-19)13-6-8-14(9-7-13)23-12(3)25/h6-9,15H,4-5H2,1-3H3,(H2,22,24)(H,23,25)