3-ethyl-5-[(3-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-ethyl-5-[(3-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-ethyl-5-(m-tolylmethylsulfanyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 3-ethyl-5-[(3-methylphenyl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazole IUPAC Name: 3-ethyl-5-[(3-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-ethyl-5-[(3-methylbenzyl)thio]-4-(tetrahydrofurfuryl)-1,2,4-triazole Formula: C17H23N3OS MolecularWeight: 317.44902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC2CCCO2)SCC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=NN=C(N1CC2CCCO2)SCC3=CC=CC(=C3)C

InChI

InChI=1S/C17H23N3OS/c1-3-16-18-19-17(20(16)11-15-8-5-9-21-15)22-12-14-7-4-6-13(2)10-14/h4,6-7,10,15H,3,5,8-9,11-12H2,1-2H3