1-[(4-bromophenyl)methyl]-4-(4-but-2-ynoxyphenyl)sulfanyl-piperidine-4-carbaldehyde

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-(4-but-2-ynoxyphenyl)sulfanyl-piperidine-4-carbaldehyde Openeye Name: 1-[(4-bromophenyl)methyl]-4-(4-but-2-ynoxyphenyl)sulfanyl-piperidine-4-carbaldehyde CAS Name: 1-[(4-bromophenyl)methyl]-4-[(4-but-2-ynoxyphenyl)thio]-4-piperidinecarboxaldehyde IUPAC Name: 1-[(4-bromophenyl)methyl]-4-(4-but-2-ynoxyphenyl)sulfanylpiperidine-4-carbaldehyde Traditional Name: 1-(4-bromobenzyl)-4-[(4-but-2-ynoxyphenyl)thio]isonipecotaldehyde Formula: C23H24BrNO2S MolecularWeight: 458.41116

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC2(CCN(CC2)CC3=CC=C(C=C3)Br)C=O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC2(CCN(CC2)CC3=CC=C(C=C3)Br)C=O

InChI

InChI=1S/C23H24BrNO2S/c1-2-3-16-27-21-8-10-22(11-9-21)28-23(18-26)12-14-25(15-13-23)17-19-4-6-20(24)7-5-19/h4-11,18H,12-17H2,1H3