2-(3-methylphenyl)-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(3-methylphenyl)-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(m-tolyl)-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]thiazole CAS Name: 2-(3-methylphenyl)-4-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]thiazole IUPAC Name: 2-(3-methylphenyl)-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(m-tolyl)-4-[[4-(4-nitrophenyl)piperazino]methyl]thiazole Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=CS2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=CS2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O2S/c1-16-3-2-4-17(13-16)21-22-18(15-28-21)14-23-9-11-24(12-10-23)19-5-7-20(8-6-19)25(26)27/h2-8,13,15H,9-12,14H2,1H3