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

Systemtic Name: 5-(isothiocyanatomethyl)-4-phenyl-3-(4-phenylmethoxy-3-propyl-phenyl)-4,5-dihydro-1,2-oxazole Openeye Name: 3-(4-benzyloxy-3-propyl-phenyl)-5-(isothiocyanatomethyl)-4-phenyl-4,5-dihydroisoxazole CAS Name: 5-(isothiocyanatomethyl)-4-phenyl-3-(4-phenylmethoxy-3-propylphenyl)-4,5-dihydroisoxazole IUPAC Name: 5-(isothiocyanatomethyl)-4-phenyl-3-(4-phenylmethoxy-3-propylphenyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-(4-benzoxy-3-propyl-phenyl)-5-(isothiocyanatomethyl)-4-phenyl-2-isoxazoline Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C2=NOC(C2C3=CC=CC=C3)CN=C=S)OCC4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C=CC(=C1)C2=NOC(C2C3=CC=CC=C3)CN=C=S)OCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O2S/c1-2-9-22-16-23(14-15-24(22)30-18-20-10-5-3-6-11-20)27-26(21-12-7-4-8-13-21)25(31-29-27)17-28-19-32/h3-8,10-16,25-26H,2,9,17-18H2,1H3