3-[(4-tert-butylphenyl)methoxy]-1-benzothiophene-2-carbonitrile

Systemtic Name: 3-[(4-tert-butylphenyl)methoxy]-1-benzothiophene-2-carbonitrile Openeye Name: 3-[(4-tert-butylphenyl)methoxy]benzothiophene-2-carbonitrile CAS Name: 3-[(4-tert-butylphenyl)methoxy]-1-benzothiophene-2-carbonitrile IUPAC Name: 3-[(4-tert-butylphenyl)methoxy]-1-benzothiophene-2-carbonitrile Traditional Name: 3-(4-tert-butylbenzyl)oxybenzothiophene-2-carbonitrile Formula: C20H19NOS MolecularWeight: 321.43596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC2=C(SC3=CC=CC=C32)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC2=C(SC3=CC=CC=C32)C#N

InChI

InChI=1S/C20H19NOS/c1-20(2,3)15-10-8-14(9-11-15)13-22-19-16-6-4-5-7-17(16)23-18(19)12-21/h4-11H,13H2,1-3H3