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

Systemtic Name: methyl (Z)-2-cyano-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: methyl (Z)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (Z)-2-cyano-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-cyano-acrylic acid methyl ester Formula: C19H15N3O2S MolecularWeight: 349.4063

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)/C(=C\C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C19H15N3O2S/c1-24-19(23)15(11-20)10-16-13-22(12-14-6-3-2-4-7-14)21-18(16)17-8-5-9-25-17/h2-10,13H,12H2,1H3/b15-10-