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

Systemtic Name: 1-(3-pyrazol-1-ylpropyl)-1-thiophen-2-yl-3H-2-benzofuran-5-carbonitrile hydrochloride Openeye Name: 1-(3-pyrazol-1-ylpropyl)-1-(2-thienyl)-3H-isobenzofuran-5-carbonitrile hydrochloride CAS Name: 1-[3-(1-pyrazolyl)propyl]-1-thiophen-2-yl-3H-isobenzofuran-5-carbonitrile hydrochloride IUPAC Name: 1-(3-pyrazol-1-ylpropyl)-1-thiophen-2-yl-3H-2-benzofuran-5-carbonitrile hydrochloride Traditional Name: 1-(3-pyrazol-1-ylpropyl)-1-(2-thienyl)phthalan-5-carbonitrile hydrochloride Formula: C19H18ClN3OS MolecularWeight: 371.88372

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN3C=CC=N3)C4=CC=CS4.Cl

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN3C=CC=N3)C4=CC=CS4.Cl

InChI

InChI=1S/C19H17N3OS.ClH/c20-13-15-5-6-17-16(12-15)14-23-19(17,18-4-1-11-24-18)7-2-9-22-10-3-8-21-22;/h1,3-6,8,10-12H,2,7,9,14H2;1H