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

Systemtic Name: N-[3-(3,4-dimethoxyphenyl)propyl]-4-(2-phenyl-1,3-dithian-2-yl)but-2-yn-1-amine Openeye Name: N-[3-(3,4-dimethoxyphenyl)propyl]-4-(2-phenyl-1,3-dithian-2-yl)but-2-yn-1-amine CAS Name: N-[3-(3,4-dimethoxyphenyl)propyl]-4-(2-phenyl-1,3-dithian-2-yl)-2-butyn-1-amine IUPAC Name: N-[3-(3,4-dimethoxyphenyl)propyl]-4-(2-phenyl-1,3-dithian-2-yl)but-2-yn-1-amine Traditional Name: 3-(3,4-dimethoxyphenyl)propyl-[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:

COC1=C(C=C(C=C1)CCCNCC#CCC2(SCCCS2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCCNCC#CCC2(SCCCS2)C3=CC=CC=C3)OC

InChI

InChI=1S/C25H31NO2S2/c1-27-23-14-13-21(20-24(23)28-2)10-8-17-26-16-7-6-15-25(29-18-9-19-30-25)22-11-4-3-5-12-22/h3-5,11-14,20,26H,8-10,15-19H2,1-2H3