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

Systemtic Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[2-(4-chlorophenyl)sulfonylethylthio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[2-(4-chlorophenyl)sulfonylethylthio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Formula: C18H18ClN3O3S2 MolecularWeight: 423.93682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H18ClN3O3S2/c1-22-17(13-3-7-15(25-2)8-4-13)20-21-18(22)26-11-12-27(23,24)16-9-5-14(19)6-10-16/h3-10H,11-12H2,1-2H3