(E)-N-ethyl-N,6,6-trimethyl-hept-2-en-4-yn-1-amine; 3-[2-(2H-thiet-4-yl)phenyl]thiophene

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)CC=CC#CC(C)(C)C.C1C=C(S1)C2=CC=CC=C2C3=CSC=C3

Isomeric SMILES

CCN(C)C/C=C/C#CC(C)(C)C.C1C=C(S1)C2=CC=CC=C2C3=CSC=C3

InChI

InChI=1S/C13H10S2.C12H21N/c1-2-4-12(13-6-8-15-13)11(3-1)10-5-7-14-9-10;1-6-13(5)11-9-7-8-10-12(2,3)4/h1-7,9H,8H2;7,9H,6,11H2,1-5H3/b;9-7+