5-phenyl-3-(2-phenylethynyl)-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-phenyl-3-(2-phenylethynyl)-1,2-thiazole-4-carbonitrile Openeye Name: 5-phenyl-3-(2-phenylethynyl)isothiazole-4-carbonitrile CAS Name: 5-phenyl-3-(2-phenylethynyl)-4-isothiazolecarbonitrile IUPAC Name: 5-phenyl-3-(2-phenylethynyl)-1,2-thiazole-4-carbonitrile Traditional Name: 5-phenyl-3-(2-phenylethynyl)isothiazole-4-carbonitrile Formula: C18H10N2S MolecularWeight: 286.3504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=NSC(=C2C#N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=NSC(=C2C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H10N2S/c19-13-16-17(12-11-14-7-3-1-4-8-14)20-21-18(16)15-9-5-2-6-10-15/h1-10H