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

Systemtic Name: 5-[4-[4-[(4-phenyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]butylsulfanyl]thiophene-2-carbaldehyde Openeye Name: 5-[4-[4-(4-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]butylsulfanyl]thiophene-2-carbaldehyde CAS Name: 5-[4-[4-[oxo-(4-phenyl-1H-pyrrol-2-yl)methyl]-1-piperazinyl]butylthio]-2-thiophenecarboxaldehyde IUPAC Name: 5-[4-[4-(4-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]butylsulfanyl]thiophene-2-carbaldehyde Traditional Name: 5-[4-[4-(4-phenyl-1H-pyrrole-2-carbonyl)piperazino]butylthio]thiophene-2-carbaldehyde Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCSC2=CC=C(S2)C=O)C(=O)C3=CC(=CN3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCCSC2=CC=C(S2)C=O)C(=O)C3=CC(=CN3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S2/c28-18-21-8-9-23(31-21)30-15-5-4-10-26-11-13-27(14-12-26)24(29)22-16-20(17-25-22)19-6-2-1-3-7-19/h1-3,6-9,16-18,25H,4-5,10-15H2