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

Systemtic Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methylsulfanyl]phenyl]methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[[4-(3-thienyl)-2-thienyl]methylsulfanyl]phenyl]methyl]hept-2-en-4-yn-1-amine CAS Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[[4-(3-thiophenyl)-2-thiophenyl]methylthio]phenyl]methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methylsulfanyl]phenyl]methyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-[3-[[4-(3-thienyl)-2-thienyl]methylthio]benzyl]amine Formula: C27H31NS3 MolecularWeight: 465.73674

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)SCC2=CC(=CS2)C3=CSC=C3

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)SCC2=CC(=CS2)C3=CSC=C3

InChI

InChI=1S/C27H31NS3/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)31-21-26-17-24(20-30-26)23-12-15-29-19-23/h6,8-12,15-17,19-20H,5,14,18,21H2,1-4H3/b8-6+