4-(2-isothiocyanatoethylsulfanylmethyl)-5-methyl-1H-imidazole hydrochloride

Systemtic Name: 4-(2-isothiocyanatoethylsulfanylmethyl)-5-methyl-1H-imidazole hydrochloride Openeye Name: 4-(2-isothiocyanatoethylsulfanylmethyl)-5-methyl-1H-imidazole hydrochloride CAS Name: 4-[(2-isothiocyanatoethylthio)methyl]-5-methyl-1H-imidazole hydrochloride IUPAC Name: 4-(2-isothiocyanatoethylsulfanylmethyl)-5-methyl-1H-imidazole hydrochloride Traditional Name: 4-[(2-isothiocyanatoethylthio)methyl]-5-methyl-1H-imidazole hydrochloride Formula: C8H12ClN3S2 MolecularWeight: 249.78398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCN=C=S.Cl

Isomeric SMILES

CC1=C(N=CN1)CSCCN=C=S.Cl

InChI

InChI=1S/C8H11N3S2.ClH/c1-7-8(11-5-10-7)4-13-3-2-9-6-12;/h5H,2-4H2,1H3,(H,10,11);1H