2-ethyl-1-isothiocyanato-butan-1-one

Systemtic Name: 2-ethyl-1-isothiocyanato-butan-1-one Openeye Name: 2-ethylbutanoyl isothiocyanate CAS Name: 2-ethyl-1-isothiocyanato-1-butanone IUPAC Name: 2-ethylbutanoyl isothiocyanate Traditional Name: 2-ethyl-1-isothiocyanato-butan-1-one Formula: C7H11NOS MolecularWeight: 157.23334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11NOS/c1-3-6(4-2)7(9)8-5-10/h6H,3-4H2,1-2H3