4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)benzenecarbonitrile Openeye Name: 4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)benzonitrile CAS Name: 4-[(4,5-dihydro-1H-imidazol-3-ium-2-ylthio)methyl]benzonitrile IUPAC Name: 4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)benzonitrile Traditional Name: 4-[(2-imidazolin-1-ium-2-ylthio)methyl]benzonitrile Formula: C11H12N3S+ MolecularWeight: 218.29808

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1C[NH+]=C(N1)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C11H11N3S/c12-7-9-1-3-10(4-2-9)8-15-11-13-5-6-14-11/h1-4H,5-6,8H2,(H,13,14)/p+1