1-[3-(dimethylamino)propyl]-1-thiophen-2-yl-3H-2-benzofuran-5-carbonitrile hydrochloride

Systemtic Name: 1-[3-(dimethylamino)propyl]-1-thiophen-2-yl-3H-2-benzofuran-5-carbonitrile hydrochloride Openeye Name: 1-[3-(dimethylamino)propyl]-1-(2-thienyl)-3H-isobenzofuran-5-carbonitrile hydrochloride CAS Name: 1-[3-(dimethylamino)propyl]-1-thiophen-2-yl-3H-isobenzofuran-5-carbonitrile hydrochloride IUPAC Name: 1-[3-(dimethylamino)propyl]-1-thiophen-2-yl-3H-2-benzofuran-5-carbonitrile hydrochloride Traditional Name: 1-[3-(dimethylamino)propyl]-1-(2-thienyl)phthalan-5-carbonitrile hydrochloride Formula: C18H21ClN2OS MolecularWeight: 348.89014

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=CS3.Cl

Isomeric SMILES

CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=CS3.Cl

InChI

InChI=1S/C18H20N2OS.ClH/c1-20(2)9-4-8-18(17-5-3-10-22-17)16-7-6-14(12-19)11-15(16)13-21-18;/h3,5-7,10-11H,4,8-9,13H2,1-2H3;1H