1-[2-(2-chlorophenyl)ethyl]imidazol-1-ium-1-carbothioamide

Systemtic Name: 1-[2-(2-chlorophenyl)ethyl]imidazol-1-ium-1-carbothioamide Openeye Name: 1-[2-(2-chlorophenyl)ethyl]imidazol-1-ium-1-carbothioamide CAS Name: 1-[2-(2-chlorophenyl)ethyl]-1-imidazol-1-iumcarbothioamide IUPAC Name: 1-[2-(2-chlorophenyl)ethyl]imidazol-1-ium-1-carbothioamide Traditional Name: 1-[2-(2-chlorophenyl)ethyl]imidazol-1-ium-1-carbothioamide Formula: C12H13ClN3S+ MolecularWeight: 266.76972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC[N+]2(C=CN=C2)C(=S)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CC[N+]2(C=CN=C2)C(=S)N)Cl

InChI

InChI=1S/C12H12ClN3S/c13-11-4-2-1-3-10(11)5-7-16(12(14)17)8-6-15-9-16/h1-4,6,8-9H,5,7H2,(H-,14,17)/p+1