5-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[[(4R)-1,3-dioxan-4-yl]methylthio]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[[(4R)-1,3-dioxan-4-yl]methylthio]-1,3,4-thiadiazol-2-yl]-(4-methoxyphenyl)amine Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN=C(S2)SCC3CCOCO3

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN=C(S2)SC[C@H]3CCOCO3

InChI

InChI=1S/C14H17N3O3S2/c1-18-11-4-2-10(3-5-11)15-13-16-17-14(22-13)21-8-12-6-7-19-9-20-12/h2-5,12H,6-9H2,1H3,(H,15,16)/t12-/m1/s1