3-(4-bromophenyl)-5-(isothiocyanatomethyl)-4,5-dihydro-1,2-oxazole

Systemtic Name: 3-(4-bromophenyl)-5-(isothiocyanatomethyl)-4,5-dihydro-1,2-oxazole Openeye Name: 3-(4-bromophenyl)-5-(isothiocyanatomethyl)-4,5-dihydroisoxazole CAS Name: 3-(4-bromophenyl)-5-(isothiocyanatomethyl)-4,5-dihydroisoxazole IUPAC Name: 3-(4-bromophenyl)-5-(isothiocyanatomethyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-(4-bromophenyl)-5-(isothiocyanatomethyl)-2-isoxazoline Formula: C11H9BrN2OS MolecularWeight: 297.17096

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC=C(C=C2)Br)CN=C=S

Isomeric SMILES

C1C(ON=C1C2=CC=C(C=C2)Br)CN=C=S

InChI

InChI=1S/C11H9BrN2OS/c12-9-3-1-8(2-4-9)11-5-10(15-14-11)6-13-7-16/h1-4,10H,5-6H2