N,N-diethyl-5-[2-(phenylmethyl)-1,3-dithian-2-yl]pent-2-yn-1-amine; ethanedioic acid

Systemtic Name: N,N-diethyl-5-[2-(phenylmethyl)-1,3-dithian-2-yl]pent-2-yn-1-amine; ethanedioic acid Openeye Name: 5-(2-benzyl-1,3-dithian-2-yl)-N,N-diethyl-pent-2-yn-1-amine; oxalic acid CAS Name: N,N-diethyl-5-[2-(phenylmethyl)-1,3-dithian-2-yl]-2-pentyn-1-amine; oxalic acid IUPAC Name: 5-(2-benzyl-1,3-dithian-2-yl)-N,N-diethylpent-2-yn-1-amine; oxalic acid Traditional Name: 5-(2-benzyl-1,3-dithian-2-yl)pent-2-ynyl-diethyl-amine; oxalic acid Formula: C22H31NO4S2 MolecularWeight: 437.61584

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCCC1(SCCCS1)CC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CC#CCCC1(SCCCS1)CC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29NS2.C2H2O4/c1-3-21(4-2)15-10-6-9-14-20(22-16-11-17-23-20)18-19-12-7-5-8-13-19;3-1(4)2(5)6/h5,7-8,12-13H,3-4,9,11,14-18H2,1-2H3;(H,3,4)(H,5,6)