azepine-4-thione; (E)-but-2-enedioic acid

Systemtic Name: azepine-4-thione; (E)-but-2-enedioic acid Openeye Name: azepine-4-thione; fumaric acid CAS Name: 4-azepinethione; (E)-2-butenedioic acid IUPAC Name: azepine-4-thione; (E)-but-2-enedioic acid Traditional Name: azepine-4-thione; fumaric acid Formula: C10H9NO4S MolecularWeight: 239.24776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=S)C=CN=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=S)C=CN=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C6H5NS.C4H4O4/c8-6-2-1-4-7-5-3-6;5-3(6)1-2-4(7)8/h1-5H;1-2H,(H,5,6)(H,7,8)/b;2-1+