1-(4-methoxyphenyl)-3-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]imidazole-2-thione

Systemtic Name: 1-(4-methoxyphenyl)-3-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]imidazole-2-thione Openeye Name: 1-(4-methoxyphenyl)-3-[[4-(6-nitro-3-pyridyl)piperazin-1-yl]methyl]imidazole-2-thione CAS Name: 1-(4-methoxyphenyl)-3-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methyl]-2-imidazolethione IUPAC Name: 1-(4-methoxyphenyl)-3-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]imidazole-2-thione Traditional Name: 1-(4-methoxyphenyl)-3-[[4-(6-nitro-3-pyridyl)piperazino]methyl]-4-imidazoline-2-thione Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CN(C2=S)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CN(C2=S)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O3S/c1-29-18-5-2-16(3-6-18)25-13-12-24(20(25)30)15-22-8-10-23(11-9-22)17-4-7-19(21-14-17)26(27)28/h2-7,12-14H,8-11,15H2,1H3