4-ethyl-3-[(4-methylsulfonylphenyl)methylsulfanyl]-5-naphthalen-1-yl-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[(4-methylsulfonylphenyl)methylsulfanyl]-5-naphthalen-1-yl-1,2,4-triazole Openeye Name: 4-ethyl-3-[(4-methylsulfonylphenyl)methylsulfanyl]-5-(1-naphthyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(4-methylsulfonylphenyl)methylthio]-5-(1-naphthalenyl)-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(4-methylsulfonylphenyl)methylsulfanyl]-5-naphthalen-1-yl-1,2,4-triazole Traditional Name: 4-ethyl-3-[(4-mesylbenzyl)thio]-5-(1-naphthyl)-1,2,4-triazole Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O2S2/c1-3-25-21(20-10-6-8-17-7-4-5-9-19(17)20)23-24-22(25)28-15-16-11-13-18(14-12-16)29(2,26)27/h4-14H,3,15H2,1-2H3