3-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-(4-methoxyphenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-(4-methoxyphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-(4-methoxyphenyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazol-4-yl]amine Formula: C15H20N4O2S MolecularWeight: 320.4099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3CCCCO3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3CCCCO3

InChI

InChI=1S/C15H20N4O2S/c1-20-12-7-5-11(6-8-12)14-17-18-15(19(14)16)22-10-13-4-2-3-9-21-13/h5-8,13H,2-4,9-10,16H2,1H3