[3-(2-methyl-5-nitro-imidazol-1-yl)-2-oxidanyl-propyl] 4-phenylpiperazine-1-carbodithioate

Systemtic Name: [3-(2-methyl-5-nitro-imidazol-1-yl)-2-oxidanyl-propyl] 4-phenylpiperazine-1-carbodithioate Openeye Name: [2-hydroxy-3-(2-methyl-5-nitro-imidazol-1-yl)propyl] 4-phenylpiperazine-1-carbodithioate CAS Name: 4-phenyl-1-piperazinecarbodithioic acid [2-hydroxy-3-(2-methyl-5-nitro-1-imidazolyl)propyl] ester IUPAC Name: [2-hydroxy-3-(2-methyl-5-nitroimidazol-1-yl)propyl] 4-phenylpiperazine-1-carbodithioate Traditional Name: 4-phenylpiperazine-1-carbodithioic acid [2-hydroxy-3-(2-methyl-5-nitro-imidazol-1-yl)propyl] ester Formula: C18H23N5O3S2 MolecularWeight: 421.53692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(CSC(=S)N2CCN(CC2)C3=CC=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC(CSC(=S)N2CCN(CC2)C3=CC=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3S2/c1-14-19-11-17(23(25)26)22(14)12-16(24)13-28-18(27)21-9-7-20(8-10-21)15-5-3-2-4-6-15/h2-6,11,16,24H,7-10,12-13H2,1H3