1-(1-sulfanylimidazol-2-yl)but-3-en-2-one

Systemtic Name: 1-(1-sulfanylimidazol-2-yl)but-3-en-2-one Openeye Name: 1-(1-sulfanylimidazol-2-yl)but-3-en-2-one CAS Name: 1-(1-mercapto-2-imidazolyl)-3-buten-2-one IUPAC Name: 1-(1-sulfanylimidazol-2-yl)but-3-en-2-one Traditional Name: 1-(1-mercaptoimidazol-2-yl)but-3-en-2-one Formula: C7H8N2OS MolecularWeight: 168.21622

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)CC1=NC=CN1S

Isomeric SMILES

C=CC(=O)CC1=NC=CN1S

InChI

InChI=1S/C7H8N2OS/c1-2-6(10)5-7-8-3-4-9(7)11/h2-4,11H,1,5H2