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

Systemtic Name: 5-(isothiocyanatomethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole Openeye Name: 5-(isothiocyanatomethyl)-3-(p-tolyl)-4,5-dihydroisoxazole CAS Name: 5-(isothiocyanatomethyl)-3-(4-methylphenyl)-4,5-dihydroisoxazole IUPAC Name: 5-(isothiocyanatomethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole Traditional Name: 5-(isothiocyanatomethyl)-3-(p-tolyl)-2-isoxazoline Formula: C12H12N2OS MolecularWeight: 232.30148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2OS/c1-9-2-4-10(5-3-9)12-6-11(15-14-12)7-13-8-16/h2-5,11H,6-7H2,1H3