butane-2-thiol; 4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-(4-fluorophenyl)-3-oxidanyl-butan-1-one

Systemtic Name: butane-2-thiol; 4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-(4-fluorophenyl)-3-oxidanyl-butan-1-one Openeye Name: butane-2-thiol; 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-3-hydroxy-butan-1-one CAS Name: 2-butanethiol; 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-3-hydroxy-1-butanone IUPAC Name: butane-2-thiol; 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)-3-hydroxybutan-1-one Traditional Name: butane-2-thiol; 4-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-1-(4-fluorophenyl)-3-hydroxy-butan-1-one Formula: C25H33ClFNO3S MolecularWeight: 482.050823

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S.C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CC(CC(=O)C3=CC=C(C=C3)F)O

Isomeric SMILES

CCC(C)S.C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CC(CC(=O)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C21H23ClFNO3.C4H10S/c22-17-5-3-16(4-6-17)21(27)9-11-24(12-10-21)14-19(25)13-20(26)15-1-7-18(23)8-2-15;1-3-4(2)5/h1-8,19,25,27H,9-14H2;4-5H,3H2,1-2H3