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

Systemtic Name: [4-[2-(5-nitrothiophen-2-yl)sulfanylethyl]piperazin-1-yl]-(4-phenyl-1H-pyrrol-2-yl)methanone Openeye Name: [4-[2-[(5-nitro-2-thienyl)sulfanyl]ethyl]piperazin-1-yl]-(4-phenyl-1H-pyrrol-2-yl)methanone CAS Name: [4-[2-[(5-nitro-2-thiophenyl)thio]ethyl]-1-piperazinyl]-(4-phenyl-1H-pyrrol-2-yl)methanone IUPAC Name: [4-[2-(5-nitrothiophen-2-yl)sulfanylethyl]piperazin-1-yl]-(4-phenyl-1H-pyrrol-2-yl)methanone Traditional Name: [4-[2-[(5-nitro-2-thienyl)thio]ethyl]piperazino]-(4-phenyl-1H-pyrrol-2-yl)methanone Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=CC=C(S2)[N+](=O)[O-])C(=O)C3=CC(=CN3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCSC2=CC=C(S2)[N+](=O)[O-])C(=O)C3=CC(=CN3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S2/c26-21(18-14-17(15-22-18)16-4-2-1-3-5-16)24-10-8-23(9-11-24)12-13-29-20-7-6-19(30-20)25(27)28/h1-7,14-15,22H,8-13H2