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

Systemtic Name: (3-cyanophenyl)methyl (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: (3-cyanophenyl)methyl (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-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl (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-cyanobenzyl) ester Formula: C24H17N3O2S MolecularWeight: 411.47568

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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)OCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C/C(=O)OCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H17N3O2S/c25-15-18-6-4-7-19(14-18)17-29-23(28)12-11-20-16-27(21-8-2-1-3-9-21)26-24(20)22-10-5-13-30-22/h1-14,16H,17H2/b12-11+