2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-5-(phenylmethyl)-1,3-thiazole

Systemtic Name: 2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-5-(phenylmethyl)-1,3-thiazole Openeye Name: 5-benzyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]thiazole CAS Name: 2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-5-(phenylmethyl)thiazole IUPAC Name: 5-benzyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-thiazole Traditional Name: 5-benzyl-2-[[4-(4-nitrophenyl)piperazino]methyl]thiazole Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC=C(S2)CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=NC=C(S2)CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O2S/c26-25(27)19-8-6-18(7-9-19)24-12-10-23(11-13-24)16-21-22-15-20(28-21)14-17-4-2-1-3-5-17/h1-9,15H,10-14,16H2