(E)-but-2-enedioic acid; N-prop-2-enyl-2-pyridin-2-yl-ethanethioamide

Systemtic Name: (E)-but-2-enedioic acid; N-prop-2-enyl-2-pyridin-2-yl-ethanethioamide Openeye Name: N-allyl-2-(2-pyridyl)thioacetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-prop-2-enyl-2-(2-pyridinyl)ethanethioamide IUPAC Name: (E)-but-2-enedioic acid; N-prop-2-enyl-2-pyridin-2-ylethanethioamide Traditional Name: N-allyl-2-(2-pyridyl)thioacetamide; fumaric acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)CC1=CC=CC=N1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C=CCNC(=S)CC1=CC=CC=N1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H12N2S.C4H4O4/c1-2-6-12-10(13)8-9-5-3-4-7-11-9;5-3(6)1-2-4(7)8/h2-5,7H,1,6,8H2,(H,12,13);1-2H,(H,5,6)(H,7,8)/b;2-1+