2-[5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 2-[5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 2-[4-phenyl-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 2-[5-(2-oxanylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 2-[5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 2-[4-phenyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C19H20N4OS MolecularWeight: 352.4533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

C1CCOC(C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C19H20N4OS/c1-2-8-15(9-3-1)23-18(17-11-4-6-12-20-17)21-22-19(23)25-14-16-10-5-7-13-24-16/h1-4,6,8-9,11-12,16H,5,7,10,13-14H2