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

Systemtic Name: 3-bromanyl-5-(2-phenylethynyl)-1,2-thiazole-4-carbonitrile Openeye Name: 3-bromo-5-(2-phenylethynyl)isothiazole-4-carbonitrile CAS Name: 3-bromo-5-(2-phenylethynyl)-4-isothiazolecarbonitrile IUPAC Name: 3-bromo-5-(2-phenylethynyl)-1,2-thiazole-4-carbonitrile Traditional Name: 3-bromo-5-(2-phenylethynyl)isothiazole-4-carbonitrile Formula: C12H5BrN2S MolecularWeight: 289.1505

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=C(C(=NS2)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=C(C(=NS2)Br)C#N

InChI

InChI=1S/C12H5BrN2S/c13-12-10(8-14)11(16-15-12)7-6-9-4-2-1-3-5-9/h1-5H