4-[(4-methylpiperazin-1-yl)methyl]-3-[(3-nitrophenyl)methyl]-1H-imidazole-2-thione

Systemtic Name: 4-[(4-methylpiperazin-1-yl)methyl]-3-[(3-nitrophenyl)methyl]-1H-imidazole-2-thione Openeye Name: 4-[(4-methylpiperazin-1-yl)methyl]-3-[(3-nitrophenyl)methyl]-1H-imidazole-2-thione CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]-3-[(3-nitrophenyl)methyl]-1H-imidazole-2-thione IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-3-[(3-nitrophenyl)methyl]-1H-imidazole-2-thione Traditional Name: 5-[(4-methylpiperazino)methyl]-1-(3-nitrobenzyl)-4-imidazoline-2-thione Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CNC(=S)N2CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CC2=CNC(=S)N2CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O2S/c1-18-5-7-19(8-6-18)12-15-10-17-16(24)20(15)11-13-3-2-4-14(9-13)21(22)23/h2-4,9-10H,5-8,11-12H2,1H3,(H,17,24)