2-(2-fluorophenyl)sulfanylethyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid 2-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid 2-[(2-fluorophenyl)thio]ethyl ester Formula: C21H19FN2O2S MolecularWeight: 382.451163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)OCCSC3=CC=CC=C3F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)OCCSC3=CC=CC=C3F

InChI

InChI=1S/C21H19FN2O2S/c22-19-8-4-5-9-20(19)27-13-12-26-21(25)11-10-18-14-23-24(16-18)15-17-6-2-1-3-7-17/h1-11,14,16H,12-13,15H2/b11-10+