N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(2-phenyl-1,3-dithian-2-yl)but-2-yn-1-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(2-phenyl-1,3-dithian-2-yl)but-2-yn-1-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(2-phenyl-1,3-dithian-2-yl)but-2-yn-1-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(2-phenyl-1,3-dithian-2-yl)-2-butyn-1-amine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(2-phenyl-1,3-dithian-2-yl)but-2-yn-1-amine Traditional Name: homoveratryl-methyl-[4-(2-phenyl-1,3-dithian-2-yl)but-2-ynyl]amine Formula: C25H31NO2S2 MolecularWeight: 441.64914

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)CC#CCC2(SCCCS2)C3=CC=CC=C3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)CC#CCC2(SCCCS2)C3=CC=CC=C3

InChI

InChI=1S/C25H31NO2S2/c1-26(17-14-21-12-13-23(27-2)24(20-21)28-3)16-8-7-15-25(29-18-9-19-30-25)22-10-5-4-6-11-22/h4-6,10-13,20H,9,14-19H2,1-3H3