3-(3,4-dimethoxyphenyl)-5-(naphthalen-2-ylsulfanylmethyl)-1,2,4-oxadiazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-(naphthalen-2-ylsulfanylmethyl)-1,2,4-oxadiazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-(2-naphthylsulfanylmethyl)-1,2,4-oxadiazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[(2-naphthalenylthio)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-(naphthalen-2-ylsulfanylmethyl)-1,2,4-oxadiazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-[(2-naphthylthio)methyl]-1,2,4-oxadiazole Formula: C21H18N2O3S MolecularWeight: 378.44422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=CC4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=CC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C21H18N2O3S/c1-24-18-10-8-16(12-19(18)25-2)21-22-20(26-23-21)13-27-17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,13H2,1-2H3