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

Systemtic Name: 3-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-5-methylsulfanyl-1,2,4-triazole Openeye Name: 3-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-5-methylsulfanyl-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-5-(methylthio)-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-5-methylsulfanyl-1,2,4-triazole Traditional Name: 3-(4-chlorophenyl)-4-(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(CN1C(=NN=C1SC)C2=CC=C(C=C2)Cl)OC

Isomeric SMILES

COC(CN1C(=NN=C1SC)C2=CC=C(C=C2)Cl)OC

InChI

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