5-(1,3-dithian-2-yl)-N-(3-phenylpropyl)pent-2-yn-1-amine; ethanedioic acid

Systemtic Name: 5-(1,3-dithian-2-yl)-N-(3-phenylpropyl)pent-2-yn-1-amine; ethanedioic acid Openeye Name: 5-(1,3-dithian-2-yl)-N-(3-phenylpropyl)pent-2-yn-1-amine; oxalic acid CAS Name: 5-(1,3-dithian-2-yl)-N-(3-phenylpropyl)-2-pentyn-1-amine; oxalic acid IUPAC Name: 5-(1,3-dithian-2-yl)-N-(3-phenylpropyl)pent-2-yn-1-amine; oxalic acid Traditional Name: 5-(1,3-dithian-2-yl)pent-2-ynyl-(3-phenylpropyl)amine; oxalic acid Formula: C20H27NO4S2 MolecularWeight: 409.56268

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)CCC#CCNCCCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CSC(SC1)CCC#CCNCCCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25NS2.C2H2O4/c1-3-9-17(10-4-1)11-7-14-19-13-6-2-5-12-18-20-15-8-16-21-18;3-1(4)2(5)6/h1,3-4,9-10,18-19H,5,7-8,11-16H2;(H,3,4)(H,5,6)