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

Systemtic Name: 5-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-N-(o-tolyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[[(4R)-1,3-dioxan-4-yl]methylthio]-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[[(4R)-1,3-dioxan-4-yl]methylthio]-1,3,4-thiadiazol-2-yl]-(o-tolyl)amine Formula: C14H17N3O2S2 MolecularWeight: 323.43368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NN=C(S2)SCC3CCOCO3

Isomeric SMILES

CC1=CC=CC=C1NC2=NN=C(S2)SC[C@H]3CCOCO3

InChI

InChI=1S/C14H17N3O2S2/c1-10-4-2-3-5-12(10)15-13-16-17-14(21-13)20-8-11-6-7-18-9-19-11/h2-5,11H,6-9H2,1H3,(H,15,16)/t11-/m1/s1