3-[3-(2-cyanoethyl)-2H-1,3-thiazol-3-ium-3-yl]propanenitrile

Systemtic Name: 3-[3-(2-cyanoethyl)-2H-1,3-thiazol-3-ium-3-yl]propanenitrile Openeye Name: 3-[3-(2-cyanoethyl)-2H-thiazol-3-ium-3-yl]propanenitrile CAS Name: 3-[3-(2-cyanoethyl)-2H-thiazol-3-ium-3-yl]propanenitrile IUPAC Name: 3-[3-(2-cyanoethyl)-2H-1,3-thiazol-3-ium-3-yl]propanenitrile Traditional Name: 3-[3-(2-cyanoethyl)-4-thiazolin-3-ium-3-yl]propionitrile Formula: C9H12N3S+ MolecularWeight: 194.27668

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Descriptors Computed from Structure

Canonical SMILES:

C1[N+](C=CS1)(CCC#N)CCC#N

Isomeric SMILES

C1[N+](C=CS1)(CCC#N)CCC#N

InChI

InChI=1S/C9H12N3S/c10-3-1-5-12(6-2-4-11)7-8-13-9-12/h7-8H,1-2,5-6,9H2/q+1