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

Systemtic Name: 3-(3-chloranyl-4-methoxy-5-methyl-phenyl)-5-(isothiocyanatomethyl)-4,5-dihydro-1,2-oxazole Openeye Name: 3-(3-chloro-4-methoxy-5-methyl-phenyl)-5-(isothiocyanatomethyl)-4,5-dihydroisoxazole CAS Name: 3-(3-chloro-4-methoxy-5-methylphenyl)-5-(isothiocyanatomethyl)-4,5-dihydroisoxazole IUPAC Name: 3-(3-chloro-4-methoxy-5-methylphenyl)-5-(isothiocyanatomethyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-(3-chloro-4-methoxy-5-methyl-phenyl)-5-(isothiocyanatomethyl)-2-isoxazoline Formula: C13H13ClN2O2S MolecularWeight: 296.77252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=NOC(C2)CN=C=S)Cl)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=NOC(C2)CN=C=S)Cl)OC

InChI

InChI=1S/C13H13ClN2O2S/c1-8-3-9(4-11(14)13(8)17-2)12-5-10(18-16-12)6-15-7-19/h3-4,10H,5-6H2,1-2H3