3-[(4-chloranylphenoxy)methyl]-5-(2,2-diethoxyethylsulfanyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-chloranylphenoxy)methyl]-5-(2,2-diethoxyethylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenoxy)methyl]-5-(2,2-diethoxyethylsulfanyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenoxy)methyl]-5-(2,2-diethoxyethylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenoxy)methyl]-5-(2,2-diethoxyethylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-chlorophenoxy)methyl]-5-(2,2-diethoxyethylthio)-4-phenyl-1,2,4-triazole Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl)OCC

Isomeric SMILES

CCOC(CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl)OCC

InChI

InChI=1S/C21H24ClN3O3S/c1-3-26-20(27-4-2)15-29-21-24-23-19(25(21)17-8-6-5-7-9-17)14-28-18-12-10-16(22)11-13-18/h5-13,20H,3-4,14-15H2,1-2H3