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

Systemtic Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[2-(4-chlorophenyl)sulfonylethylthio]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[2-(4-chlorophenyl)sulfonylethylthio]-5-(2-methoxyphenyl)-1,2,4-triazole Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O3S2/c1-3-12-24-19(17-6-4-5-7-18(17)27-2)22-23-20(24)28-13-14-29(25,26)16-10-8-15(21)9-11-16/h3-11H,1,12-14H2,2H3