2-[(2-azanyl-1,3-thiazol-3-ium-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(2-azanyl-1,3-thiazol-3-ium-3-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(2-aminothiazol-3-ium-3-yl)methyl]benzonitrile CAS Name: 2-[(2-amino-3-thiazol-3-iumyl)methyl]benzonitrile IUPAC Name: 2-[(2-amino-1,3-thiazol-3-ium-3-yl)methyl]benzonitrile Traditional Name: 2-[(2-aminothiazol-3-ium-3-yl)methyl]benzonitrile Formula: C11H10N3S+ MolecularWeight: 216.2822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[N+]2=C(SC=C2)N)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C[N+]2=C(SC=C2)N)C#N

InChI

InChI=1S/C11H9N3S/c12-7-9-3-1-2-4-10(9)8-14-5-6-15-11(14)13/h1-6,13H,8H2/p+1