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

Systemtic Name: 4-cyclohexyl-3-(1,3-dioxan-4-ylmethylsulfanyl)-5-(2-methoxyphenyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(1,3-dioxan-4-ylmethylsulfanyl)-5-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(1,3-dioxan-4-ylmethylthio)-5-(2-methoxyphenyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(1,3-dioxan-4-ylmethylsulfanyl)-5-(2-methoxyphenyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(1,3-dioxan-4-ylmethylthio)-5-(2-methoxyphenyl)-1,2,4-triazole Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)SCC4CCOCO4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)SCC4CCOCO4

InChI

InChI=1S/C20H27N3O3S/c1-24-18-10-6-5-9-17(18)19-21-22-20(23(19)15-7-3-2-4-8-15)27-13-16-11-12-25-14-26-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3