7-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]-1-benzothiophene-3-carbonitrile

Systemtic Name: 7-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]-1-benzothiophene-3-carbonitrile Openeye Name: 7-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]benzothiophene-3-carbonitrile CAS Name: 7-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]methyl]-1-benzothiophene-3-carbonitrile IUPAC Name: 7-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]methyl]-1-benzothiophene-3-carbonitrile Traditional Name: 7-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]benzothiophene-3-carbonitrile Formula: C20H22N2S MolecularWeight: 322.46708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=C1SC=C2C#N

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=C1SC=C2C#N

InChI

InChI=1S/C20H22N2S/c1-20(2,3)11-6-5-7-12-22(4)14-16-9-8-10-18-17(13-21)15-23-19(16)18/h5,7-10,15H,12,14H2,1-4H3/b7-5+