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

Systemtic Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole CAS Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-(4-ethylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-(4-ethylphenyl)-1H-1,2,4-triazole Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3CCOCO3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SC[C@H]3CCOCO3

InChI

InChI=1S/C15H19N3O2S/c1-2-11-3-5-12(6-4-11)14-16-15(18-17-14)21-9-13-7-8-19-10-20-13/h3-6,13H,2,7-10H2,1H3,(H,16,17,18)/t13-/m1/s1