3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-phenyl-5-(phenylsulfonylmethyl)-1,2,4-triazole

Systemtic Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-phenyl-5-(phenylsulfonylmethyl)-1,2,4-triazole Openeye Name: 3-(benzenesulfonylmethyl)-5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-[2-(3,5-dimethylphenoxy)ethylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(besylmethyl)-5-[2-(3,5-dimethylphenoxy)ethylthio]-4-phenyl-1,2,4-triazole Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H25N3O3S2/c1-19-15-20(2)17-22(16-19)31-13-14-32-25-27-26-24(28(25)21-9-5-3-6-10-21)18-33(29,30)23-11-7-4-8-12-23/h3-12,15-17H,13-14,18H2,1-2H3