3-(oxan-2-ylmethylsulfanyl)-5-thiophen-2-yl-1H-1,2,4-triazole

Systemtic Name: 3-(oxan-2-ylmethylsulfanyl)-5-thiophen-2-yl-1H-1,2,4-triazole Openeye Name: 3-(tetrahydropyran-2-ylmethylsulfanyl)-5-(2-thienyl)-1H-1,2,4-triazole CAS Name: 3-(2-oxanylmethylthio)-5-thiophen-2-yl-1H-1,2,4-triazole IUPAC Name: 3-(oxan-2-ylmethylsulfanyl)-5-thiophen-2-yl-1H-1,2,4-triazole Traditional Name: 3-(tetrahydropyran-2-ylmethylthio)-5-(2-thienyl)-1H-1,2,4-triazole Formula: C12H15N3OS2 MolecularWeight: 281.397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

C1CCOC(C1)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C12H15N3OS2/c1-2-6-16-9(4-1)8-18-12-13-11(14-15-12)10-5-3-7-17-10/h3,5,7,9H,1-2,4,6,8H2,(H,13,14,15)