3-(phenylmethylsulfanyl)-5-(pyrimidin-4-ylmethoxy)-1,2,4-thiadiazole

Systemtic Name: 3-(phenylmethylsulfanyl)-5-(pyrimidin-4-ylmethoxy)-1,2,4-thiadiazole Openeye Name: 3-benzylsulfanyl-5-(pyrimidin-4-ylmethoxy)-1,2,4-thiadiazole CAS Name: 3-(phenylmethylthio)-5-(4-pyrimidinylmethoxy)-1,2,4-thiadiazole IUPAC Name: 3-benzylsulfanyl-5-(pyrimidin-4-ylmethoxy)-1,2,4-thiadiazole Traditional Name: 3-(benzylthio)-5-(4-pyrimidylmethoxy)-1,2,4-thiadiazole Formula: C14H12N4OS2 MolecularWeight: 316.40128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NSC(=N2)OCC3=NC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NSC(=N2)OCC3=NC=NC=C3

InChI

InChI=1S/C14H12N4OS2/c1-2-4-11(5-3-1)9-20-13-17-14(21-18-13)19-8-12-6-7-15-10-16-12/h1-7,10H,8-9H2