1-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-3-(phenylmethyl)imidazole-2-thione

Systemtic Name: 1-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-3-(phenylmethyl)imidazole-2-thione Openeye Name: 1-benzyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]imidazole-2-thione CAS Name: 1-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-3-(phenylmethyl)-2-imidazolethione IUPAC Name: 1-benzyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]imidazole-2-thione Traditional Name: 1-benzyl-3-[[4-(4-nitrophenyl)piperazino]methyl]-4-imidazoline-2-thione Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C=CN(C2=S)CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C=CN(C2=S)CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O2S/c27-26(28)20-8-6-19(7-9-20)23-12-10-22(11-13-23)17-25-15-14-24(21(25)29)16-18-4-2-1-3-5-18/h1-9,14-15H,10-13,16-17H2