5-(5-chloranyl-2-methoxy-phenyl)-3-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-3-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(5-chloro-2-methoxyphenyl)-3-[[(4S)-1,3-dioxan-4-yl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-3-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-3-[[(4S)-1,3-dioxan-4-yl]methylthio]-1H-1,2,4-triazole Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC3CCOCO3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SC[C@@H]3CCOCO3

InChI

InChI=1S/C14H16ClN3O3S/c1-19-12-3-2-9(15)6-11(12)13-16-14(18-17-13)22-7-10-4-5-20-8-21-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,16,17,18)/t10-/m0/s1