(E)-N-ethyl-6,6-dimethyl-N-[[3-[(3-pyrrol-1-ylphenyl)methylsulfanyl]phenyl]methyl]hept-2-en-4-yn-1-amine

Systemtic Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[(3-pyrrol-1-ylphenyl)methylsulfanyl]phenyl]methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[(3-pyrrol-1-ylphenyl)methylsulfanyl]phenyl]methyl]hept-2-en-4-yn-1-amine CAS Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[[3-(1-pyrrolyl)phenyl]methylthio]phenyl]methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[(3-pyrrol-1-ylphenyl)methylsulfanyl]phenyl]methyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-[3-[(3-pyrrol-1-ylbenzyl)thio]benzyl]amine Formula: C29H34N2S MolecularWeight: 442.65866

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)SCC2=CC(=CC=C2)N3C=CC=C3

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)SCC2=CC(=CC=C2)N3C=CC=C3

InChI

InChI=1S/C29H34N2S/c1-5-30(18-8-6-7-17-29(2,3)4)23-25-13-12-16-28(22-25)32-24-26-14-11-15-27(21-26)31-19-9-10-20-31/h6,8-16,19-22H,5,18,23-24H2,1-4H3/b8-6+