N-[(4-chlorophenyl)methyl]-3-methyl-imidazol-3-ium-1-carbothioamide iodide

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-methyl-imidazol-3-ium-1-carbothioamide iodide Openeye Name: N-[(4-chlorophenyl)methyl]-3-methyl-imidazol-3-ium-1-carbothioamide iodide CAS Name: N-[(4-chlorophenyl)methyl]-3-methyl-1-imidazol-3-iumcarbothioamide iodide IUPAC Name: N-[(4-chlorophenyl)methyl]-3-methylimidazol-3-ium-1-carbothioamide iodide Traditional Name: N-(4-chlorobenzyl)-3-methyl-imidazol-3-ium-1-carbothioamide iodide Formula: C12H13ClIN3S MolecularWeight: 393.67419

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C(=S)NCC2=CC=C(C=C2)Cl.[I-]

Isomeric SMILES

C[N+]1=CN(C=C1)C(=S)NCC2=CC=C(C=C2)Cl.[I-]

InChI

InChI=1S/C12H12ClN3S.HI/c1-15-6-7-16(9-15)12(17)14-8-10-2-4-11(13)5-3-10;/h2-7,9H,8H2,1H3;1H