4-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]piperazine-1-carbaldehyde Openeye Name: 4-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylphenyl]piperazine-1-carbaldehyde CAS Name: 4-[4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]phenyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylphenyl]piperazine-1-carbaldehyde Traditional Name: 4-[4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]piperazine-1-carbaldehyde Formula: C24H27ClN4OS MolecularWeight: 455.01538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=CC=C(C=C2)SC(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4

Isomeric SMILES

C1CN(CCN1C=O)C2=CC=C(C=C2)SC(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4

InChI

InChI=1S/C24H27ClN4OS/c25-21-4-1-20(2-5-21)3-8-24(17-28-12-11-26-18-28)31-23-9-6-22(7-10-23)29-15-13-27(19-30)14-16-29/h1-2,4-7,9-12,18-19,24H,3,8,13-17H2