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

Systemtic Name: 5-[(4-chloranyl-3-methyl-phenoxy)methyl]-3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-[(4-chloro-3-methyl-phenoxy)methyl]-3-(1-naphthylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-[(4-chloro-3-methylphenoxy)methyl]-3-(1-naphthalenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 5-[(4-chloro-3-methylphenoxy)methyl]-3-(naphthalen-1-ylmethylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-[(4-chloro-3-methyl-phenoxy)methyl]-3-(1-naphthylmethylthio)-1H-1,2,4-triazole Formula: C21H18ClN3OS MolecularWeight: 395.90512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC3=CC=CC4=CC=CC=C43)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC3=CC=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C21H18ClN3OS/c1-14-11-17(9-10-19(14)22)26-12-20-23-21(25-24-20)27-13-16-7-4-6-15-5-2-3-8-18(15)16/h2-11H,12-13H2,1H3,(H,23,24,25)