4-isocyano-3-methylsulfanyl-5-(4-phenylmethoxyphenyl)-1,2-oxazole

Systemtic Name: 4-isocyano-3-methylsulfanyl-5-(4-phenylmethoxyphenyl)-1,2-oxazole Openeye Name: 5-(4-benzyloxyphenyl)-4-isocyano-3-methylsulfanyl-isoxazole CAS Name: 4-isocyano-3-(methylthio)-5-(4-phenylmethoxyphenyl)isoxazole IUPAC Name: 4-isocyano-3-methylsulfanyl-5-(4-phenylmethoxyphenyl)-1,2-oxazole Traditional Name: 5-(4-benzoxyphenyl)-4-isocyano-3-(methylthio)isoxazole Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NOC(=C1[N+]#[C-])C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CSC1=NOC(=C1[N+]#[C-])C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C18H14N2O2S/c1-19-16-17(22-20-18(16)23-2)14-8-10-15(11-9-14)21-12-13-6-4-3-5-7-13/h3-11H,12H2,2H3