3-[2-(4-methylphenyl)sulfonylethylsulfanyl]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(4-methylphenyl)sulfonylethylsulfanyl]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-(4-benzyloxyphenyl)-3-[2-(p-tolylsulfonyl)ethylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[2-(4-methylphenyl)sulfonylethylthio]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-methylphenyl)sulfonylethylsulfanyl]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-(4-benzoxyphenyl)-3-(2-tosylethylthio)-1H-1,2,4-triazol-5-one Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=NNC(=O)N2C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=NNC(=O)N2C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O4S2/c1-18-7-13-22(14-8-18)33(29,30)16-15-32-24-26-25-23(28)27(24)20-9-11-21(12-10-20)31-17-19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,25,28)