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

Systemtic Name: (E)-3-[1-(phenylmethyl)pyrazol-4-yl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(thiophene-2-carbonyl)prop-2-enenitrile CAS Name: (E)-2-[oxo(thiophen-2-yl)methyl]-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(thiophene-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(2-thenoyl)acrylonitrile Formula: C18H13N3OS MolecularWeight: 319.38032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=C(C#N)C(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C(\C#N)/C(=O)C3=CC=CS3

InChI

InChI=1S/C18H13N3OS/c19-10-16(18(22)17-7-4-8-23-17)9-15-11-20-21(13-15)12-14-5-2-1-3-6-14/h1-9,11,13H,12H2/b16-9+