[azanyl(sulfanyl)methylidene]azanium; 1-(2-chloroethyl)-2-methyl-5-nitro-imidazole

Systemtic Name: [azanyl(sulfanyl)methylidene]azanium; 1-(2-chloroethyl)-2-methyl-5-nitro-imidazole Openeye Name: [amino(sulfanyl)methylene]ammonium; 1-(2-chloroethyl)-2-methyl-5-nitro-imidazole CAS Name: [amino(mercapto)methylidene]ammonium; 1-(2-chloroethyl)-2-methyl-5-nitroimidazole IUPAC Name: [amino(sulfanyl)methylidene]azanium; 1-(2-chloroethyl)-2-methyl-5-nitroimidazole Traditional Name: [amino(mercapto)methylene]ammonium; 1-(2-chloroethyl)-2-methyl-5-nitro-imidazole Formula: C7H13ClN5O2S+ MolecularWeight: 266.72842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCCl)[N+](=O)[O-].C(=[NH2+])(N)S

Isomeric SMILES

CC1=NC=C(N1CCCl)[N+](=O)[O-].C(=[NH2+])(N)S

InChI

InChI=1S/C6H8ClN3O2.CH4N2S/c1-5-8-4-6(10(11)12)9(5)3-2-7;2-1(3)4/h4H,2-3H2,1H3;(H4,2,3,4)/p+1