1-(2,5-dimethylphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazole-2-thione

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazole-2-thione Openeye Name: 1-(2,5-dimethylphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazole-2-thione CAS Name: 1-(2,5-dimethylphenyl)-3-[(4-methylsulfonyl-1-piperazinyl)methyl]-2-imidazolethione IUPAC Name: 1-(2,5-dimethylphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazole-2-thione Traditional Name: 1-(2,5-dimethylphenyl)-3-[(4-mesylpiperazino)methyl]-4-imidazoline-2-thione Formula: C17H24N4O2S2 MolecularWeight: 380.52806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=CN(C2=S)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=CN(C2=S)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H24N4O2S2/c1-14-4-5-15(2)16(12-14)21-11-8-19(17(21)24)13-18-6-9-20(10-7-18)25(3,22)23/h4-5,8,11-12H,6-7,9-10,13H2,1-3H3