(E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(thiophene-2-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-[oxo(thiophen-2-yl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-(thiophene-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(2-thenoyl)acrylonitrile Formula: C24H17N3O2S MolecularWeight: 411.47568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C=C(C#N)C(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2/C=C(\C#N)/C(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C24H17N3O2S/c1-29-21-11-6-5-10-20(21)23-18(16-27(26-23)19-8-3-2-4-9-19)14-17(15-25)24(28)22-12-7-13-30-22/h2-14,16H,1H3/b17-14+