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

Systemtic Name: 4-(4-methoxyphenyl)-3-(oxan-2-ylmethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-(4-methoxyphenyl)-3-(tetrahydropyran-2-ylmethylsulfanyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-(4-methoxyphenyl)-3-(2-oxanylmethylthio)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-(4-methoxyphenyl)-3-(oxan-2-ylmethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-(4-methoxyphenyl)-3-(tetrahydropyran-2-ylmethylthio)-5-(2-thienyl)-1,2,4-triazole Formula: C19H21N3O2S2 MolecularWeight: 387.51894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=CS4

InChI

InChI=1S/C19H21N3O2S2/c1-23-15-9-7-14(8-10-15)22-18(17-6-4-12-25-17)20-21-19(22)26-13-16-5-2-3-11-24-16/h4,6-10,12,16H,2-3,5,11,13H2,1H3