(E)-4-(2-sulfanyl-1H-pyridin-2-yl)but-3-en-2-one

Systemtic Name: (E)-4-(2-sulfanyl-1H-pyridin-2-yl)but-3-en-2-one Openeye Name: (E)-4-(2-sulfanyl-1H-pyridin-2-yl)but-3-en-2-one CAS Name: (E)-4-(2-mercapto-1H-pyridin-2-yl)-3-buten-2-one IUPAC Name: (E)-4-(2-sulfanyl-1H-pyridin-2-yl)but-3-en-2-one Traditional Name: (E)-4-(2-mercapto-1H-pyridin-2-yl)but-3-en-2-one Formula: C9H11NOS MolecularWeight: 181.25474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1(C=CC=CN1)S

Isomeric SMILES

CC(=O)/C=C/C1(C=CC=CN1)S

InChI

InChI=1S/C9H11NOS/c1-8(11)4-6-9(12)5-2-3-7-10-9/h2-7,10,12H,1H3/b6-4+