3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[2-(4-chlorophenyl)sulfonylethylthio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[2-(4-chlorophenyl)sulfonylethylthio]-1H-1,2,4-triazol-5-one Formula: C17H16ClN3O3S2 MolecularWeight: 409.91024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3O3S2/c18-14-6-8-15(9-7-14)26(23,24)11-10-25-17-20-19-16(22)21(17)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,22)