(E)-but-2-enedioic acid; 3-chloranyl-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine

Systemtic Name: (E)-but-2-enedioic acid; 3-chloranyl-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine Openeye Name: 3-chloro-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-chloro-2-[(1-methyl-2-imidazolyl)methylthio]pyridine IUPAC Name: (E)-but-2-enedioic acid; 3-chloro-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine Traditional Name: 3-chloro-2-[(1-methylimidazol-2-yl)methylthio]pyridine; fumaric acid Formula: C14H14ClN3O4S MolecularWeight: 355.79666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CSC2=C(C=CC=N2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C=CN=C1CSC2=C(C=CC=N2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H10ClN3S.C4H4O4/c1-14-6-5-12-9(14)7-15-10-8(11)3-2-4-13-10;5-3(6)1-2-4(7)8/h2-6H,7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+