3-[(4-chloranylphenoxy)methyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-[(4-chloranylphenoxy)methyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(4-chlorophenoxy)methyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-chlorophenoxy)methyl]-4-methyl-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenoxy)methyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(4-chlorophenoxy)methyl]-4-methyl-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C20H18ClN5OS MolecularWeight: 411.90782

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)COC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN5OS/c1-25-19(13-27-18-9-5-16(21)6-10-18)23-24-20(25)28-14-15-3-7-17(8-4-15)26-12-2-11-22-26/h2-12H,13-14H2,1H3