2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-(2-hydroxyethyl)piperazine-1-carbodithioate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-(2-hydroxyethyl)piperazine-1-carbodithioate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-(2-hydroxyethyl)piperazine-1-carbodithioate CAS Name: 4-(2-hydroxyethyl)-1-piperazinecarbodithioic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-(2-hydroxyethyl)piperazine-1-carbodithioate Traditional Name: 4-(2-hydroxyethyl)piperazine-1-carbodithioic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C13H21N5O3S2 MolecularWeight: 359.46754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSC(=S)N2CCN(CC2)CCO)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSC(=S)N2CCN(CC2)CCO)[N+](=O)[O-]

InChI

InChI=1S/C13H21N5O3S2/c1-11-14-10-12(18(20)21)17(11)7-9-23-13(22)16-4-2-15(3-5-16)6-8-19/h10,19H,2-9H2,1H3