3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-(p-tolyl)-1H-1,2,4-triazole Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3CCOCO3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SC[C@H]3CCOCO3

InChI

InChI=1S/C14H17N3O2S/c1-10-2-4-11(5-3-10)13-15-14(17-16-13)20-8-12-6-7-18-9-19-12/h2-5,12H,6-9H2,1H3,(H,15,16,17)/t12-/m1/s1