3-[3-(4-methoxyphenoxy)propylsulfanyl]-4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazole

Systemtic Name: 3-[3-(4-methoxyphenoxy)propylsulfanyl]-4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazole Openeye Name: 3-[3-(4-methoxyphenoxy)propylsulfanyl]-4-methyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazole CAS Name: 3-[3-(4-methoxyphenoxy)propylthio]-4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazole IUPAC Name: 3-[3-(4-methoxyphenoxy)propylsulfanyl]-4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazole Traditional Name: 3-[3-(4-methoxyphenoxy)propylthio]-4-methyl-5-(tosylmethyl)-1,2,4-triazole Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C)SCCCOC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C)SCCCOC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O4S2/c1-16-5-11-19(12-6-16)30(25,26)15-20-22-23-21(24(20)2)29-14-4-13-28-18-9-7-17(27-3)8-10-18/h5-12H,4,13-15H2,1-3H3