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

Systemtic Name: 1-cyanoethyl (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: 1-cyanoethyl (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 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl (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 1-cyanoethyl ester Formula: C19H15N3O2S MolecularWeight: 349.4063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O2S/c1-14(12-20)24-18(23)10-9-15-13-22(16-6-3-2-4-7-16)21-19(15)17-8-5-11-25-17/h2-11,13-14H,1H3/b10-9+