3-[4-ethyl-5-[(4-methylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propan-1-ol

Systemtic Name: 3-[4-ethyl-5-[(4-methylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propan-1-ol Openeye Name: 3-[4-ethyl-5-[(4-methylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propan-1-ol CAS Name: 3-[4-ethyl-5-[(4-methylsulfonylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-propanol IUPAC Name: 3-[4-ethyl-5-[(4-methylsulfonylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propan-1-ol Traditional Name: 3-[4-ethyl-5-[(4-mesylbenzyl)thio]-1,2,4-triazol-3-yl]propan-1-ol Formula: C15H21N3O3S2 MolecularWeight: 355.47554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)S(=O)(=O)C)CCCO

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)S(=O)(=O)C)CCCO

InChI

InChI=1S/C15H21N3O3S2/c1-3-18-14(5-4-10-19)16-17-15(18)22-11-12-6-8-13(9-7-12)23(2,20)21/h6-9,19H,3-5,10-11H2,1-2H3