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

Systemtic Name: (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-2-[oxo(1-pyrrolidinyl)methyl]-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-(pyrrolidine-1-carbonyl)acrylonitrile Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCN(C1)C(=O)/C(=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)/C#N

InChI

InChI=1S/C22H20N4OS/c23-14-18(22(27)25-10-4-5-11-25)13-19-16-26(15-17-7-2-1-3-8-17)24-21(19)20-9-6-12-28-20/h1-3,6-9,12-13,16H,4-5,10-11,15H2/b18-13+