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

Systemtic Name: 4-[4-[1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl]sulfanylphenyl]piperazine-1-carbaldehyde Openeye Name: 4-[4-[1-(imidazol-1-ylmethyl)-3-(p-tolyl)propyl]sulfanylphenyl]piperazine-1-carbaldehyde CAS Name: 4-[4-[[1-(1-imidazolyl)-4-(4-methylphenyl)butan-2-yl]thio]phenyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-[1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl]sulfanylphenyl]piperazine-1-carbaldehyde Traditional Name: 4-[4-[[1-(imidazol-1-ylmethyl)-3-(p-tolyl)propyl]thio]phenyl]piperazine-1-carbaldehyde Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N4CCN(CC4)C=O

Isomeric SMILES

CC1=CC=C(C=C1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N4CCN(CC4)C=O

InChI

InChI=1S/C25H30N4OS/c1-21-2-4-22(5-3-21)6-9-25(18-28-13-12-26-19-28)31-24-10-7-23(8-11-24)29-16-14-27(20-30)15-17-29/h2-5,7-8,10-13,19-20,25H,6,9,14-18H2,1H3