4-[3-methylsulfanyl-4-(2-oxidanylideneimidazolidin-1-yl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[3-methylsulfanyl-4-(2-oxidanylideneimidazolidin-1-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[3-methylsulfanyl-4-(2-oxoimidazolidin-1-yl)phenyl]benzonitrile CAS Name: 4-[3-(methylthio)-4-(2-oxo-1-imidazolidinyl)phenyl]benzonitrile IUPAC Name: 4-[3-methylsulfanyl-4-(2-oxoimidazolidin-1-yl)phenyl]benzonitrile Traditional Name: 4-[4-(2-ketoimidazolidin-1-yl)-3-(methylthio)phenyl]benzonitrile Formula: C17H15N3OS MolecularWeight: 309.3855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)C2=CC=C(C=C2)C#N)N3CCNC3=O

Isomeric SMILES

CSC1=C(C=CC(=C1)C2=CC=C(C=C2)C#N)N3CCNC3=O

InChI

InChI=1S/C17H15N3OS/c1-22-16-10-14(13-4-2-12(11-18)3-5-13)6-7-15(16)20-9-8-19-17(20)21/h2-7,10H,8-9H2,1H3,(H,19,21)