4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-methylsulfanyl-1,2,4-triazole

Systemtic Name: 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-methylsulfanyl-1,2,4-triazole Openeye Name: 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-methylsulfanyl-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylthio)-1,2,4-triazole IUPAC Name: 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-methylsulfanyl-1,2,4-triazole Traditional Name: 4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylthio)-1,2,4-triazole Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=NN=C(N1C2=CC=C(C=C2)Cl)SC)OC

Isomeric SMILES

COC(CC1=NN=C(N1C2=CC=C(C=C2)Cl)SC)OC

InChI

InChI=1S/C13H16ClN3O2S/c1-18-12(19-2)8-11-15-16-13(20-3)17(11)10-6-4-9(14)5-7-10/h4-7,12H,8H2,1-3H3