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

Systemtic Name: 2-(naphthalen-2-ylsulfanylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-(2-naphthylsulfanylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[(2-naphthalenylthio)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-(naphthalen-2-ylsulfanylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2-naphthylthio)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H20N2O4S/c1-25-18-11-16(12-19(26-2)21(18)27-3)22-24-23-20(28-22)13-29-17-9-8-14-6-4-5-7-15(14)10-17/h4-12H,13H2,1-3H3