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

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-5-(isothiocyanatomethyl)-4,5-dihydro-1,2-oxazole Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-5-(isothiocyanatomethyl)-4,5-dihydroisoxazole CAS Name: 3-(3-chloro-4-methoxyphenyl)-5-(isothiocyanatomethyl)-4,5-dihydroisoxazole IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-5-(isothiocyanatomethyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-5-(isothiocyanatomethyl)-2-isoxazoline Formula: C12H11ClN2O2S MolecularWeight: 282.74594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(C2)CN=C=S)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(C2)CN=C=S)Cl

InChI

InChI=1S/C12H11ClN2O2S/c1-16-12-3-2-8(4-10(12)13)11-5-9(17-15-11)6-14-7-18/h2-4,9H,5-6H2,1H3