3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3O3S2/c1-24-14-6-2-12(3-7-14)16-19-17(21-20-16)25-10-11-26(22,23)15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,20,21)