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

Systemtic Name: 3-cyanopropyl (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: 3-cyanopropyl (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid 3-cyanopropyl ester Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O2S/c21-12-4-5-13-25-19(24)11-10-16-15-23(17-7-2-1-3-8-17)22-20(16)18-9-6-14-26-18/h1-3,6-11,14-15H,4-5,13H2/b11-10+