2H-thiete; (E)-N,6,6-trimethyl-N-[2-(3-thiophen-3-ylphenyl)ethyl]hept-2-en-4-yn-1-amine

Systemtic Name: 2H-thiete; (E)-N,6,6-trimethyl-N-[2-(3-thiophen-3-ylphenyl)ethyl]hept-2-en-4-yn-1-amine Openeye Name: 2H-thiete; (E)-N,6,6-trimethyl-N-[2-[3-(3-thienyl)phenyl]ethyl]hept-2-en-4-yn-1-amine CAS Name: 2H-thiete; (E)-N,6,6-trimethyl-N-[2-[3-(3-thiophenyl)phenyl]ethyl]-1-hept-2-en-4-ynamine IUPAC Name: 2H-thiete; (E)-N,6,6-trimethyl-N-[2-(3-thiophen-3-ylphenyl)ethyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-[2-[3-(3-thienyl)phenyl]ethyl]amine; 2H-thiete Formula: C25H31NS2 MolecularWeight: 409.65034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCN(C)CCC1=CC=CC(=C1)C2=CSC=C2.C1C=CS1

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(C)CCC1=CC=CC(=C1)C2=CSC=C2.C1C=CS1

InChI

InChI=1S/C22H27NS.C3H4S/c1-22(2,3)13-6-5-7-14-23(4)15-11-19-9-8-10-20(17-19)21-12-16-24-18-21;1-2-4-3-1/h5,7-10,12,16-18H,11,14-15H2,1-4H3;1-2H,3H2/b7-5+;