(E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(thiophene-2-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]-2-[oxo(thiophen-2-yl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-2-(thiophene-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-thenoyl)acrylonitrile Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)C=C(C#N)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)/C=C(\C#N)/C(=O)C3=CC=CS3

InChI

InChI=1S/C20H20N4OS/c1-13(2)24-19(7-8-22-24)23-14(3)10-16(15(23)4)11-17(12-21)20(25)18-6-5-9-26-18/h5-11,13H,1-4H3/b17-11+