3-(oxan-2-ylmethylsulfanyl)-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-(oxan-2-ylmethylsulfanyl)-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-phenethyl-3-(tetrahydropyran-2-ylmethylsulfanyl)-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-(2-oxanylmethylthio)-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-(oxan-2-ylmethylsulfanyl)-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-phenethyl-3-(tetrahydropyran-2-ylmethylthio)-5-(2-thenyl)-1,2,4-triazole Formula: C21H25N3OS2 MolecularWeight: 399.5727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CCOC(C1)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C21H25N3OS2/c1-2-7-17(8-3-1)11-12-24-20(15-19-10-6-14-26-19)22-23-21(24)27-16-18-9-4-5-13-25-18/h1-3,6-8,10,14,18H,4-5,9,11-13,15-16H2