(E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid Formula: C17H11N3O2S MolecularWeight: 321.35314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=C(C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C17H11N3O2S/c18-10-12(17(21)22)9-13-11-20(14-5-2-1-3-6-14)19-16(13)15-7-4-8-23-15/h1-9,11H,(H,21,22)/b12-9+