[2-(4-chlorophenyl)-2-isothiocyanato-ethyl] thiocyanate

Systemtic Name: [2-(4-chlorophenyl)-2-isothiocyanato-ethyl] thiocyanate Openeye Name: [2-(4-chlorophenyl)-2-isothiocyanato-ethyl] thiocyanate CAS Name: thiocyanic acid [2-(4-chlorophenyl)-2-isothiocyanatoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-isothiocyanatoethyl] thiocyanate Traditional Name: thiocyanic acid [2-(4-chlorophenyl)-2-isothiocyanato-ethyl] ester Formula: C10H7ClN2S2 MolecularWeight: 254.75898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CSC#N)N=C=S)Cl

Isomeric SMILES

C1=CC(=CC=C1C(CSC#N)N=C=S)Cl

InChI

InChI=1S/C10H7ClN2S2/c11-9-3-1-8(2-4-9)10(13-7-14)5-15-6-12/h1-4,10H,5H2