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

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-(2-hydroxyethyl)piperidine-1-carbodithioate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-(2-hydroxyethyl)piperidine-1-carbodithioate CAS Name: 4-(2-hydroxyethyl)-1-piperidinecarbodithioic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-(2-hydroxyethyl)piperidine-1-carbodithioate Traditional Name: 4-(2-hydroxyethyl)piperidine-1-carbodithioic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C14H22N4O3S2 MolecularWeight: 358.47948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSC(=S)N2CCC(CC2)CCO)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSC(=S)N2CCC(CC2)CCO)[N+](=O)[O-]

InChI

InChI=1S/C14H22N4O3S2/c1-11-15-10-13(18(20)21)17(11)7-9-23-14(22)16-5-2-12(3-6-16)4-8-19/h10,12,19H,2-9H2,1H3