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

Systemtic Name: 4-ethyl-3-(oxan-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-ethyl-3-phenyl-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-ethyl-3-(2-oxanylmethylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-ethyl-3-(oxan-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 4-ethyl-3-phenyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3OS/c1-2-19-15(13-8-4-3-5-9-13)17-18-16(19)21-12-14-10-6-7-11-20-14/h3-5,8-9,14H,2,6-7,10-12H2,1H3