5-(chloromethyl)-3-(4-isothiocyanatophenyl)-1,2,4-oxadiazole

Systemtic Name: 5-(chloromethyl)-3-(4-isothiocyanatophenyl)-1,2,4-oxadiazole Openeye Name: 5-(chloromethyl)-3-(4-isothiocyanatophenyl)-1,2,4-oxadiazole CAS Name: 5-(chloromethyl)-3-(4-isothiocyanatophenyl)-1,2,4-oxadiazole IUPAC Name: 5-(chloromethyl)-3-(4-isothiocyanatophenyl)-1,2,4-oxadiazole Traditional Name: 5-(chloromethyl)-3-(4-isothiocyanatophenyl)-1,2,4-oxadiazole Formula: C10H6ClN3OS MolecularWeight: 251.69214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NOC(=N2)CCl)N=C=S

Isomeric SMILES

C1=CC(=CC=C1C2=NOC(=N2)CCl)N=C=S

InChI

InChI=1S/C10H6ClN3OS/c11-5-9-13-10(14-15-9)7-1-3-8(4-2-7)12-6-16/h1-4H,5H2