(E)-3-chloranyl-1-isothiocyanato-prop-2-en-1-one

Systemtic Name: (E)-3-chloranyl-1-isothiocyanato-prop-2-en-1-one Openeye Name: (E)-3-chloroprop-2-enoyl isothiocyanate CAS Name: (E)-3-chloro-1-isothiocyanato-2-propen-1-one IUPAC Name: (E)-3-chloroprop-2-enoyl isothiocyanate Traditional Name: (E)-3-chloro-1-isothiocyanato-prop-2-en-1-one Formula: C4H2ClNOS MolecularWeight: 147.58278

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Descriptors Computed from Structure

Canonical SMILES:

C(=CCl)C(=O)N=C=S

Isomeric SMILES

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

InChI

InChI=1S/C4H2ClNOS/c5-2-1-4(7)6-3-8/h1-2H/b2-1+