4-[[2,5-bis(methylsulfanyl)pyrimidin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[2,5-bis(methylsulfanyl)pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 4-[[2,5-bis(methylsulfanyl)pyrimidin-4-yl]amino]benzonitrile CAS Name: 4-[[2,5-bis(methylthio)-4-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[2,5-bis(methylsulfanyl)pyrimidin-4-yl]amino]benzonitrile Traditional Name: 4-[[2,5-bis(methylthio)pyrimidin-4-yl]amino]benzonitrile Formula: C13H12N4S2 MolecularWeight: 288.39118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CN=C(N=C1NC2=CC=C(C=C2)C#N)SC

Isomeric SMILES

CSC1=CN=C(N=C1NC2=CC=C(C=C2)C#N)SC

InChI

InChI=1S/C13H12N4S2/c1-18-11-8-15-13(19-2)17-12(11)16-10-5-3-9(7-14)4-6-10/h3-6,8H,1-2H3,(H,15,16,17)