3-[(2-chloranyl-5-methyl-phenoxy)methyl]-4-ethyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-5-methyl-phenoxy)methyl]-4-ethyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-[(2-chloro-5-methyl-phenoxy)methyl]-4-ethyl-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-5-methylphenoxy)methyl]-4-ethyl-5-(1-naphthalenylmethylthio)-1,2,4-triazole IUPAC Name: 3-[(2-chloro-5-methylphenoxy)methyl]-4-ethyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-[(2-chloro-5-methyl-phenoxy)methyl]-4-ethyl-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C23H22ClN3OS MolecularWeight: 423.95828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)COC4=C(C=CC(=C4)C)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)COC4=C(C=CC(=C4)C)Cl

InChI

InChI=1S/C23H22ClN3OS/c1-3-27-22(14-28-21-13-16(2)11-12-20(21)24)25-26-23(27)29-15-18-9-6-8-17-7-4-5-10-19(17)18/h4-13H,3,14-15H2,1-2H3