3-chloranyl-2-methyl-5-phenyl-1,2-thiazol-2-ium-4-carbonitrile

Systemtic Name: 3-chloranyl-2-methyl-5-phenyl-1,2-thiazol-2-ium-4-carbonitrile Openeye Name: 3-chloro-2-methyl-5-phenyl-isothiazol-2-ium-4-carbonitrile CAS Name: 3-chloro-2-methyl-5-phenyl-4-isothiazol-2-iumcarbonitrile IUPAC Name: 3-chloro-2-methyl-5-phenyl-1,2-thiazol-2-ium-4-carbonitrile Traditional Name: 3-chloro-2-methyl-5-phenyl-isothiazol-2-ium-4-carbonitrile Formula: C11H8ClN2S+ MolecularWeight: 235.71262

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=C(S1)C2=CC=CC=C2)C#N)Cl

Isomeric SMILES

C[N+]1=C(C(=C(S1)C2=CC=CC=C2)C#N)Cl

InChI

InChI=1S/C11H8ClN2S/c1-14-11(12)9(7-13)10(15-14)8-5-3-2-4-6-8/h2-6H,1H3/q+1