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

Systemtic Name: 4-(3-methyl-3-oxidanyl-but-1-ynyl)-1-benzothiophene-2-carbonitrile Openeye Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)benzothiophene-2-carbonitrile CAS Name: 4-(3-hydroxy-3-methylbut-1-ynyl)-1-benzothiophene-2-carbonitrile IUPAC Name: 4-(3-hydroxy-3-methylbut-1-ynyl)-1-benzothiophene-2-carbonitrile Traditional Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)benzothiophene-2-carbonitrile Formula: C14H11NOS MolecularWeight: 241.30824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NOS/c1-14(2,16)7-6-10-4-3-5-13-12(10)8-11(9-15)17-13/h3-5,8,16H,1-2H3