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

Systemtic Name: 1-(2-imidazol-1-ylethyl)-1-thiophen-2-yl-3H-2-benzofuran-5-carbonitrile hydrochloride Openeye Name: 1-(2-imidazol-1-ylethyl)-1-(2-thienyl)-3H-isobenzofuran-5-carbonitrile hydrochloride CAS Name: 1-[2-(1-imidazolyl)ethyl]-1-thiophen-2-yl-3H-isobenzofuran-5-carbonitrile hydrochloride IUPAC Name: 1-(2-imidazol-1-ylethyl)-1-thiophen-2-yl-3H-2-benzofuran-5-carbonitrile hydrochloride Traditional Name: 1-(2-imidazol-1-ylethyl)-1-(2-thienyl)phthalan-5-carbonitrile hydrochloride Formula: C18H16ClN3OS MolecularWeight: 357.85714

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCN3C=CN=C3)C4=CC=CS4.Cl

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(O1)(CCN3C=CN=C3)C4=CC=CS4.Cl

InChI

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