5-[3-[4-[(4-phenyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]propylsulfanyl]thiophene-2-carbaldehyde

Systemtic Name: 5-[3-[4-[(4-phenyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]propylsulfanyl]thiophene-2-carbaldehyde Openeye Name: 5-[3-[4-(4-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]propylsulfanyl]thiophene-2-carbaldehyde CAS Name: 5-[3-[4-[oxo-(4-phenyl-1H-pyrrol-2-yl)methyl]-1-piperazinyl]propylthio]-2-thiophenecarboxaldehyde IUPAC Name: 5-[3-[4-(4-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]propylsulfanyl]thiophene-2-carbaldehyde Traditional Name: 5-[3-[4-(4-phenyl-1H-pyrrole-2-carbonyl)piperazino]propylthio]thiophene-2-carbaldehyde Formula: C23H25N3O2S2 MolecularWeight: 439.5935

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=CC=C(S2)C=O)C(=O)C3=CC(=CN3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCSC2=CC=C(S2)C=O)C(=O)C3=CC(=CN3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S2/c27-17-20-7-8-22(30-20)29-14-4-9-25-10-12-26(13-11-25)23(28)21-15-19(16-24-21)18-5-2-1-3-6-18/h1-3,5-8,15-17,24H,4,9-14H2