O-(phenylmethyl) 6-(4-fluorophenyl)-2,5-dimethyl-cyclohex-3-ene-1-carbothioate

Systemtic Name: O-(phenylmethyl) 6-(4-fluorophenyl)-2,5-dimethyl-cyclohex-3-ene-1-carbothioate Openeye Name: O-benzyl 6-(4-fluorophenyl)-2,5-dimethyl-cyclohex-3-ene-1-carbothioate CAS Name: 6-(4-fluorophenyl)-2,5-dimethyl-1-cyclohex-3-enecarbothioic acid O-(phenylmethyl) ester IUPAC Name: O-benzyl 6-(4-fluorophenyl)-2,5-dimethylcyclohex-3-ene-1-carbothioate Traditional Name: 6-(4-fluorophenyl)-2,5-dimethyl-cyclohex-3-ene-1-carbothioic acid O-benzyl ester Formula: C22H23FOS MolecularWeight: 354.480823

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(C(C1C2=CC=C(C=C2)F)C(=S)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1C=CC(C(C1C2=CC=C(C=C2)F)C(=S)OCC3=CC=CC=C3)C

InChI

InChI=1S/C22H23FOS/c1-15-8-9-16(2)21(20(15)18-10-12-19(23)13-11-18)22(25)24-14-17-6-4-3-5-7-17/h3-13,15-16,20-21H,14H2,1-2H3