3-(3-chloranyl-4-phenylmethoxy-phenyl)-5-(isothiocyanatomethyl)-4,5-dihydro-1,2-oxazole

Systemtic Name: 3-(3-chloranyl-4-phenylmethoxy-phenyl)-5-(isothiocyanatomethyl)-4,5-dihydro-1,2-oxazole Openeye Name: 3-(4-benzyloxy-3-chloro-phenyl)-5-(isothiocyanatomethyl)-4,5-dihydroisoxazole CAS Name: 3-(3-chloro-4-phenylmethoxyphenyl)-5-(isothiocyanatomethyl)-4,5-dihydroisoxazole IUPAC Name: 3-(3-chloro-4-phenylmethoxyphenyl)-5-(isothiocyanatomethyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-(4-benzoxy-3-chloro-phenyl)-5-(isothiocyanatomethyl)-2-isoxazoline Formula: C18H15ClN2O2S MolecularWeight: 358.8419

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)Cl)CN=C=S

Isomeric SMILES

C1C(ON=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)Cl)CN=C=S

InChI

InChI=1S/C18H15ClN2O2S/c19-16-8-14(17-9-15(23-21-17)10-20-12-24)6-7-18(16)22-11-13-4-2-1-3-5-13/h1-8,15H,9-11H2