5-[(4-chloranyl-3-methyl-phenoxy)methyl]-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-[(4-chloranyl-3-methyl-phenoxy)methyl]-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazole CAS Name: 5-[(4-chloro-3-methylphenoxy)methyl]-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazole Formula: C17H16ClN3OS MolecularWeight: 345.84644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC3=CC=CC=C3)Cl

InChI

InChI=1S/C17H16ClN3OS/c1-12-9-14(7-8-15(12)18)22-10-16-19-17(21-20-16)23-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,20,21)