(E)-1-isothiocyanatobut-2-en-1-one

Systemtic Name: (E)-1-isothiocyanatobut-2-en-1-one Openeye Name: (E)-but-2-enoyl isothiocyanate CAS Name: (E)-1-isothiocyanato-2-buten-1-one IUPAC Name: (E)-but-2-enoyl isothiocyanate Traditional Name: (E)-1-isothiocyanatobut-2-en-1-one Formula: C5H5NOS MolecularWeight: 127.1643

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N=C=S

Isomeric SMILES

C/C=C/C(=O)N=C=S

InChI

InChI=1S/C5H5NOS/c1-2-3-5(7)6-4-8/h2-3H,1H3/b3-2+