2-[(4-chlorophenyl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium

Systemtic Name: 2-[(4-chlorophenyl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium Openeye Name: 2-[(4-chlorophenyl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium CAS Name: 2-[[(4-chlorophenyl)thio]methyl]-1H-imidazo[1,2-a]pyrimidin-4-ium IUPAC Name: 2-[(4-chlorophenyl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium Traditional Name: 2-[[(4-chlorophenyl)thio]methyl]-1H-imidazo[1,2-a]pyrimidin-4-ium Formula: C13H11ClN3S+ MolecularWeight: 276.76454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C2NC(=C[N+]2=C1)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CN=C2NC(=C[N+]2=C1)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H10ClN3S/c14-10-2-4-12(5-3-10)18-9-11-8-17-7-1-6-15-13(17)16-11/h1-8H,9H2/p+1