4-ethyl-3-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-(p-tolyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-ethyl-3-(4-methylphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 4-ethyl-3-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-(p-tolyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2CCCCO2)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC2CCCCO2)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H23N3OS/c1-3-20-16(14-9-7-13(2)8-10-14)18-19-17(20)22-12-15-6-4-5-11-21-15/h7-10,15H,3-6,11-12H2,1-2H3