(4-methylsulfanylphenyl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (4-methylsulfanylphenyl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [4-(methylthio)benzyl] ester Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2S/c1-26-20-10-7-18(8-11-20)16-25-21(24)12-9-19-13-22-23(15-19)14-17-5-3-2-4-6-17/h2-13,15H,14,16H2,1H3/b12-9+