N-[3-(3,4-dimethoxyphenyl)propyl]-5-(1,3-dithian-2-yl)pent-2-yn-1-amine

Systemtic Name: N-[3-(3,4-dimethoxyphenyl)propyl]-5-(1,3-dithian-2-yl)pent-2-yn-1-amine Openeye Name: N-[3-(3,4-dimethoxyphenyl)propyl]-5-(1,3-dithian-2-yl)pent-2-yn-1-amine CAS Name: N-[3-(3,4-dimethoxyphenyl)propyl]-5-(1,3-dithian-2-yl)-2-pentyn-1-amine IUPAC Name: N-[3-(3,4-dimethoxyphenyl)propyl]-5-(1,3-dithian-2-yl)pent-2-yn-1-amine Traditional Name: 3-(3,4-dimethoxyphenyl)propyl-[5-(1,3-dithian-2-yl)pent-2-ynyl]amine Formula: C20H29NO2S2 MolecularWeight: 379.57976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCNCC#CCCC2SCCCS2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCCNCC#CCCC2SCCCS2)OC

InChI

InChI=1S/C20H29NO2S2/c1-22-18-11-10-17(16-19(18)23-2)8-6-13-21-12-5-3-4-9-20-24-14-7-15-25-20/h10-11,16,20-21H,4,6-9,12-15H2,1-2H3