[2-(6-azanylhexylsulfanyl)pyridin-3-yl]-thiophen-2-yl-methanone; (E)-but-2-enedioic acid

Systemtic Name: [2-(6-azanylhexylsulfanyl)pyridin-3-yl]-thiophen-2-yl-methanone; (E)-but-2-enedioic acid Openeye Name: [2-(6-aminohexylsulfanyl)-3-pyridyl]-(2-thienyl)methanone; fumaric acid CAS Name: [2-(6-aminohexylthio)-3-pyridinyl]-thiophen-2-ylmethanone; (E)-2-butenedioic acid IUPAC Name: [2-(6-aminohexylsulfanyl)pyridin-3-yl]-thiophen-2-ylmethanone; (E)-but-2-enedioic acid Traditional Name: [2-(6-aminohexylthio)-3-pyridyl]-(2-thienyl)methanone; fumaric acid Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCCCCCCN)C(=O)C2=CC=CS2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCCCCCCN)C(=O)C2=CC=CS2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H20N2OS2.C4H4O4/c17-9-3-1-2-4-11-21-16-13(7-5-10-18-16)15(19)14-8-6-12-20-14;5-3(6)1-2-4(7)8/h5-8,10,12H,1-4,9,11,17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+