3-(5-chloranyl-2-methoxy-phenyl)-4-ethyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(5-chloranyl-2-methoxy-phenyl)-4-ethyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(5-chloro-2-methoxy-phenyl)-4-ethyl-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(5-chloro-2-methoxyphenyl)-4-ethyl-5-(1-naphthalenylmethylthio)-1,2,4-triazole IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-4-ethyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(5-chloro-2-methoxy-phenyl)-4-ethyl-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C22H20ClN3OS MolecularWeight: 409.9317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3OS/c1-3-26-21(19-13-17(23)11-12-20(19)27-2)24-25-22(26)28-14-16-9-6-8-15-7-4-5-10-18(15)16/h4-13H,3,14H2,1-2H3