[4-[6-(5-nitrothiophen-2-yl)sulfanylhexyl]piperazin-1-yl]-(4-phenyl-1H-pyrrol-2-yl)methanone

Systemtic Name: [4-[6-(5-nitrothiophen-2-yl)sulfanylhexyl]piperazin-1-yl]-(4-phenyl-1H-pyrrol-2-yl)methanone Openeye Name: [4-[6-[(5-nitro-2-thienyl)sulfanyl]hexyl]piperazin-1-yl]-(4-phenyl-1H-pyrrol-2-yl)methanone CAS Name: [4-[6-[(5-nitro-2-thiophenyl)thio]hexyl]-1-piperazinyl]-(4-phenyl-1H-pyrrol-2-yl)methanone IUPAC Name: [4-[6-(5-nitrothiophen-2-yl)sulfanylhexyl]piperazin-1-yl]-(4-phenyl-1H-pyrrol-2-yl)methanone Traditional Name: [4-[6-[(5-nitro-2-thienyl)thio]hexyl]piperazino]-(4-phenyl-1H-pyrrol-2-yl)methanone Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCCSC2=CC=C(S2)[N+](=O)[O-])C(=O)C3=CC(=CN3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCCCCSC2=CC=C(S2)[N+](=O)[O-])C(=O)C3=CC(=CN3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3S2/c30-25(22-18-21(19-26-22)20-8-4-3-5-9-20)28-15-13-27(14-16-28)12-6-1-2-7-17-33-24-11-10-23(34-24)29(31)32/h3-5,8-11,18-19,26H,1-2,6-7,12-17H2