methyl (E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid methyl ester Formula: C18H13N3O2S MolecularWeight: 335.37972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O2S/c1-23-18(22)13(11-19)10-14-12-21(15-6-3-2-4-7-15)20-17(14)16-8-5-9-24-16/h2-10,12H,1H3/b13-10+