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

Systemtic Name: 3-(4-methoxyphenyl)-4-methyl-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-methoxyphenyl)-4-methyl-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-4-methyl-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-4-methyl-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-methoxyphenyl)-4-methyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2CCCCO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC2CCCCO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H21N3O2S/c1-19-15(12-6-8-13(20-2)9-7-12)17-18-16(19)22-11-14-5-3-4-10-21-14/h6-9,14H,3-5,10-11H2,1-2H3