(E)-N-[(5-chloranyl-1-benzothiophen-7-yl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine

Systemtic Name: (E)-N-[(5-chloranyl-1-benzothiophen-7-yl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine Openeye Name: (E)-N-[(5-chlorobenzothiophen-7-yl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine CAS Name: (E)-N-[(5-chloro-1-benzothiophen-7-yl)methyl]-N,6,6-trimethyl-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-[(5-chloro-1-benzothiophen-7-yl)methyl]-N,6,6-trimethylhept-2-en-4-yn-1-amine Traditional Name: (5-chlorobenzothiophen-7-yl)methyl-[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amine Formula: C19H22ClNS MolecularWeight: 331.90268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCN(C)CC1=C2C(=CC(=C1)Cl)C=CS2

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(C)CC1=C2C(=CC(=C1)Cl)C=CS2

InChI

InChI=1S/C19H22ClNS/c1-19(2,3)9-6-5-7-10-21(4)14-16-13-17(20)12-15-8-11-22-18(15)16/h5,7-8,11-13H,10,14H2,1-4H3/b7-5+