5-phenyl-3-prop-2-ynyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-phenyl-3-prop-2-ynyl-1,2-thiazole-4-carbonitrile Openeye Name: 5-phenyl-3-prop-2-ynyl-isothiazole-4-carbonitrile CAS Name: 5-phenyl-3-prop-2-ynyl-4-isothiazolecarbonitrile IUPAC Name: 5-phenyl-3-prop-2-ynyl-1,2-thiazole-4-carbonitrile Traditional Name: 5-phenyl-3-propargyl-isothiazole-4-carbonitrile Formula: C13H8N2S MolecularWeight: 224.28102

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC1=NSC(=C1C#N)C2=CC=CC=C2

Isomeric SMILES

C#CCC1=NSC(=C1C#N)C2=CC=CC=C2

InChI

InChI=1S/C13H8N2S/c1-2-6-12-11(9-14)13(16-15-12)10-7-4-3-5-8-10/h1,3-5,7-8H,6H2