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

Systemtic Name: (3-methylphenyl)methyl (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: m-tolylmethyl (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propenoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid (3-methylbenzyl) ester Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)/C=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O2S/c1-19-7-5-10-21(15-19)18-29-24(28)13-12-22-17-27(16-20-8-3-2-4-9-20)26-25(22)23-11-6-14-30-23/h2-15,17H,16,18H2,1H3/b13-12+