prop-2-enyl (Z)-2-cyano-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: prop-2-enyl (Z)-2-cyano-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: allyl (Z)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (Z)-2-cyano-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (Z)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-cyano-acrylic acid allyl ester Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C(=CC1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3)C#N

Isomeric SMILES

C=CCOC(=O)/C(=C\C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H17N3O2S/c1-2-10-26-21(25)17(13-22)12-18-15-24(14-16-7-4-3-5-8-16)23-20(18)19-9-6-11-27-19/h2-9,11-12,15H,1,10,14H2/b17-12-