methyl 3-[[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylcarbonyloxy]propanoate

Systemtic Name: methyl 3-[[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylcarbonyloxy]propanoate Openeye Name: methyl 3-[[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylcarbonyloxy]propanoate CAS Name: 3-[[[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-oxomethoxy]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylcarbonyloxy]propanoate Traditional Name: 3-[[4-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]carbonyloxypropionic acid methyl ester Formula: C13H12ClN3O4S MolecularWeight: 341.77008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCOC(=O)SC1=NN=CN1C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CCOC(=O)SC1=NN=CN1C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H12ClN3O4S/c1-20-11(18)6-7-21-13(19)22-12-16-15-8-17(12)10-4-2-9(14)3-5-10/h2-5,8H,6-7H2,1H3