[4-(1,2-dithiocyanatoethyl)phenyl] ethanoate

Systemtic Name: [4-(1,2-dithiocyanatoethyl)phenyl] ethanoate Openeye Name: [4-(1,2-dithiocyanatoethyl)phenyl] acetate CAS Name: acetic acid [4-(1,2-dithiocyanatoethyl)phenyl] ester IUPAC Name: [4-(1,2-dithiocyanatoethyl)phenyl] acetate Traditional Name: acetic acid [4-(1,2-dithiocyanatoethyl)phenyl] ester Formula: C12H10N2O2S2 MolecularWeight: 278.35

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(CSC#N)SC#N

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(CSC#N)SC#N

InChI

InChI=1S/C12H10N2O2S2/c1-9(15)16-11-4-2-10(3-5-11)12(18-8-14)6-17-7-13/h2-5,12H,6H2,1H3