4-(3-methyl-3-oxidanyl-but-1-ynyl)-1-benzothiophene-2-carboximidamide

Systemtic Name: 4-(3-methyl-3-oxidanyl-but-1-ynyl)-1-benzothiophene-2-carboximidamide Openeye Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)benzothiophene-2-carboxamidine CAS Name: 4-(3-hydroxy-3-methylbut-1-ynyl)-1-benzothiophene-2-carboximidamide IUPAC Name: 4-(3-hydroxy-3-methylbut-1-ynyl)-1-benzothiophene-2-carboximidamide Traditional Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)benzothiophene-2-carboxamidine Formula: C14H14N2OS MolecularWeight: 258.33876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C2C=C(SC2=CC=C1)C(=N)N)O

Isomeric SMILES

CC(C)(C#CC1=C2C=C(SC2=CC=C1)C(=N)N)O

InChI

InChI=1S/C14H14N2OS/c1-14(2,17)7-6-9-4-3-5-11-10(9)8-12(18-11)13(15)16/h3-5,8,17H,1-2H3,(H3,15,16)