3-[(4-chlorophenyl)methyl]-4-(2,2-diethoxyethyl)-5-methylsulfanyl-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methyl]-4-(2,2-diethoxyethyl)-5-methylsulfanyl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methyl]-4-(2,2-diethoxyethyl)-5-methylsulfanyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methyl]-4-(2,2-diethoxyethyl)-5-(methylthio)-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methyl]-4-(2,2-diethoxyethyl)-5-methylsulfanyl-1,2,4-triazole Traditional Name: 3-(4-chlorobenzyl)-4-(2,2-diethoxyethyl)-5-(methylthio)-1,2,4-triazole Formula: C16H22ClN3O2S MolecularWeight: 355.88278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(=NN=C1SC)CC2=CC=C(C=C2)Cl)OCC

Isomeric SMILES

CCOC(CN1C(=NN=C1SC)CC2=CC=C(C=C2)Cl)OCC

InChI

InChI=1S/C16H22ClN3O2S/c1-4-21-15(22-5-2)11-20-14(18-19-16(20)23-3)10-12-6-8-13(17)9-7-12/h6-9,15H,4-5,10-11H2,1-3H3