4-[(E)-5-oxidanylpent-1-enyl]-1-benzothiophene-2-carbonitrile

Systemtic Name: 4-[(E)-5-oxidanylpent-1-enyl]-1-benzothiophene-2-carbonitrile Openeye Name: 4-[(E)-5-hydroxypent-1-enyl]benzothiophene-2-carbonitrile CAS Name: 4-[(E)-5-hydroxypent-1-enyl]-1-benzothiophene-2-carbonitrile IUPAC Name: 4-[(E)-5-hydroxypent-1-enyl]-1-benzothiophene-2-carbonitrile Traditional Name: 4-[(E)-5-hydroxypent-1-enyl]benzothiophene-2-carbonitrile Formula: C14H13NOS MolecularWeight: 243.32412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C#N)C=CCCCO

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C#N)/C=C/CCCO

InChI

InChI=1S/C14H13NOS/c15-10-12-9-13-11(5-2-1-3-8-16)6-4-7-14(13)17-12/h2,4-7,9,16H,1,3,8H2/b5-2+