4-(2-phenylethynyl)-1-benzothiophene-2-carboximidamide dihydrate hydrochloride

Systemtic Name: 4-(2-phenylethynyl)-1-benzothiophene-2-carboximidamide dihydrate hydrochloride Openeye Name: 4-(2-phenylethynyl)benzothiophene-2-carboxamidine dihydrate hydrochloride CAS Name: 4-(2-phenylethynyl)-1-benzothiophene-2-carboximidamide dihydrate hydrochloride IUPAC Name: 4-(2-phenylethynyl)-1-benzothiophene-2-carboximidamide dihydrate hydrochloride Traditional Name: 4-(2-phenylethynyl)benzothiophene-2-carboxamidine dihydrate hydrochloride Formula: C17H17ClN2O2S MolecularWeight: 348.84708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=C3C=C(SC3=CC=C2)C(=N)N.O.O.Cl

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=C3C=C(SC3=CC=C2)C(=N)N.O.O.Cl

InChI

InChI=1S/C17H12N2S.ClH.2H2O/c18-17(19)16-11-14-13(7-4-8-15(14)20-16)10-9-12-5-2-1-3-6-12;;;/h1-8,11H,(H3,18,19);1H;2*1H2