2-azanyl-6-(5-bromanyl-2-methoxy-phenyl)-4,4-bis(ethylsulfanyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(5-bromanyl-2-methoxy-phenyl)-4,4-bis(ethylsulfanyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-6-(5-bromo-2-methoxy-phenyl)-4,4-bis(ethylsulfanyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-6-(5-bromo-2-methoxyphenyl)-4,4-bis(ethylthio)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-6-(5-bromo-2-methoxyphenyl)-4,4-bis(ethylsulfanyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-6-(5-bromo-2-methoxy-phenyl)-4,4-bis(ethylthio)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C18H19BrN4OS2 MolecularWeight: 451.40366

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1(C2(C(C2(C(=N1)N)C#N)C3=C(C=CC(=C3)Br)OC)C#N)SCC

Isomeric SMILES

CCSC1(C2(C(C2(C(=N1)N)C#N)C3=C(C=CC(=C3)Br)OC)C#N)SCC

InChI

InChI=1S/C18H19BrN4OS2/c1-4-25-18(26-5-2)17(10-21)14(16(17,9-20)15(22)23-18)12-8-11(19)6-7-13(12)24-3/h6-8,14H,4-5H2,1-3H3,(H2,22,23)