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

Systemtic Name: 3-(1,3-dioxan-4-ylmethylsulfanyl)-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-(1,3-dioxan-4-ylmethylsulfanyl)-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-(1,3-dioxan-4-ylmethylthio)-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-(1,3-dioxan-4-ylmethylsulfanyl)-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-(1,3-dioxan-4-ylmethylthio)-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2CCOCO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC2CCOCO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C15H19N3O3S/c1-18-14(11-3-5-12(19-2)6-4-11)16-17-15(18)22-9-13-7-8-20-10-21-13/h3-6,13H,7-10H2,1-2H3