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

Systemtic Name: (E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-(thiophene-2-carbonyl)prop-2-enenitrile CAS Name: (E)-2-[oxo(thiophen-2-yl)methyl]-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-(thiophene-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-(2-thenoyl)acrylonitrile Formula: C23H16N4OS MolecularWeight: 396.46434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C=C(C#N)C(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=C(\C#N)/C(=O)C4=CC=CS4

InChI

InChI=1S/C23H16N4OS/c24-13-19(23(28)21-9-5-11-29-21)12-20-16-27(15-17-6-2-1-3-7-17)26-22(20)18-8-4-10-25-14-18/h1-12,14,16H,15H2/b19-12+