4-[[4-(2,4-dinitrophenyl)piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole

Systemtic Name: 4-[[4-(2,4-dinitrophenyl)piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole Openeye Name: 4-[[4-(2,4-dinitrophenyl)piperazin-1-yl]methyl]-2-(4-methoxyphenyl)thiazole CAS Name: 4-[[4-(2,4-dinitrophenyl)-1-piperazinyl]methyl]-2-(4-methoxyphenyl)thiazole IUPAC Name: 4-[[4-(2,4-dinitrophenyl)piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole Traditional Name: 4-[[4-(2,4-dinitrophenyl)piperazino]methyl]-2-(4-methoxyphenyl)thiazole Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)CN3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)CN3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5S/c1-31-18-5-2-15(3-6-18)21-22-16(14-32-21)13-23-8-10-24(11-9-23)19-7-4-17(25(27)28)12-20(19)26(29)30/h2-7,12,14H,8-11,13H2,1H3