1-(2-pyrazol-1-ylethyl)-1-thiophen-2-yl-3H-2-benzofuran-5-carbonitrile

Systemtic Name: 1-(2-pyrazol-1-ylethyl)-1-thiophen-2-yl-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-(2-pyrazol-1-ylethyl)-1-(2-thienyl)-3H-isobenzofuran-5-carbonitrile CAS Name: 1-[2-(1-pyrazolyl)ethyl]-1-thiophen-2-yl-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(2-pyrazol-1-ylethyl)-1-thiophen-2-yl-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-(2-pyrazol-1-ylethyl)-1-(2-thienyl)phthalan-5-carbonitrile Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCN3C=CC=N3)C4=CC=CS4

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(O1)(CCN3C=CC=N3)C4=CC=CS4

InChI

InChI=1S/C18H15N3OS/c19-12-14-4-5-16-15(11-14)13-22-18(16,17-3-1-10-23-17)6-9-21-8-2-7-20-21/h1-5,7-8,10-11H,6,9,13H2