4-[4-[1-imidazol-1-yl-4-(5-methylfuran-2-yl)butan-2-yl]sulfanylphenyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[4-[1-imidazol-1-yl-4-(5-methylfuran-2-yl)butan-2-yl]sulfanylphenyl]piperazine-1-carbaldehyde Openeye Name: 4-[4-[1-(imidazol-1-ylmethyl)-3-(5-methyl-2-furyl)propyl]sulfanylphenyl]piperazine-1-carbaldehyde CAS Name: 4-[4-[[1-(1-imidazolyl)-4-(5-methyl-2-furanyl)butan-2-yl]thio]phenyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-[1-imidazol-1-yl-4-(5-methylfuran-2-yl)butan-2-yl]sulfanylphenyl]piperazine-1-carbaldehyde Traditional Name: 4-[4-[[1-(imidazol-1-ylmethyl)-3-(5-methyl-2-furyl)propyl]thio]phenyl]piperazine-1-carbaldehyde Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N4CCN(CC4)C=O

Isomeric SMILES

CC1=CC=C(O1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N4CCN(CC4)C=O

InChI

InChI=1S/C23H28N4O2S/c1-19-2-5-21(29-19)6-9-23(16-26-11-10-24-17-26)30-22-7-3-20(4-8-22)27-14-12-25(18-28)13-15-27/h2-5,7-8,10-11,17-18,23H,6,9,12-16H2,1H3