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

Systemtic Name: 3-methyl-5-(2-phenylethynyl)-1,2-thiazole-4-carbonitrile Openeye Name: 3-methyl-5-(2-phenylethynyl)isothiazole-4-carbonitrile CAS Name: 3-methyl-5-(2-phenylethynyl)-4-isothiazolecarbonitrile IUPAC Name: 3-methyl-5-(2-phenylethynyl)-1,2-thiazole-4-carbonitrile Traditional Name: 3-methyl-5-(2-phenylethynyl)isothiazole-4-carbonitrile Formula: C13H8N2S MolecularWeight: 224.28102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C#N)C#CC2=CC=CC=C2

Isomeric SMILES

CC1=NSC(=C1C#N)C#CC2=CC=CC=C2

InChI

InChI=1S/C13H8N2S/c1-10-12(9-14)13(16-15-10)8-7-11-5-3-2-4-6-11/h2-6H,1H3