1-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-imidazole-2-thione

Systemtic Name: 1-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-imidazole-2-thione Openeye Name: 1-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-imidazole-2-thione CAS Name: 1-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-3-propyl-2-imidazolethione IUPAC Name: 1-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3-propylimidazole-2-thione Traditional Name: 1-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]-3-propyl-4-imidazoline-2-thione Formula: C17H23N5O4S2 MolecularWeight: 425.52562

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C=CN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O4S2/c1-2-6-19-9-10-20(17(19)27)14-18-7-11-21(12-8-18)28(25,26)16-5-3-4-15(13-16)22(23)24/h3-5,9-10,13H,2,6-8,11-12,14H2,1H3