(E)-but-2-enedioic acid; 3-chloranyl-2-(1H-imidazol-5-ylmethylsulfanyl)pyridine

Systemtic Name: (E)-but-2-enedioic acid; 3-chloranyl-2-(1H-imidazol-5-ylmethylsulfanyl)pyridine Openeye Name: 3-chloro-2-(1H-imidazol-5-ylmethylsulfanyl)pyridine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-chloro-2-(1H-imidazol-5-ylmethylthio)pyridine IUPAC Name: (E)-but-2-enedioic acid; 3-chloro-2-(1H-imidazol-5-ylmethylsulfanyl)pyridine Traditional Name: 3-chloro-2-(1H-imidazol-5-ylmethylthio)pyridine; fumaric acid Formula: C13H12ClN3O4S MolecularWeight: 341.77008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CN=CN2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CN=CN2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H8ClN3S.C4H4O4/c10-8-2-1-3-12-9(8)14-5-7-4-11-6-13-7;5-3(6)1-2-4(7)8/h1-4,6H,5H2,(H,11,13);1-2H,(H,5,6)(H,7,8)/b;2-1+