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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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