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

Systemtic Name: 3-[3-(4-methoxyphenoxy)propylsulfanyl]-5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[3-(4-methoxyphenoxy)propylsulfanyl]-4-phenyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazole CAS Name: 3-[3-(4-methoxyphenoxy)propylthio]-5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[3-(4-methoxyphenoxy)propylsulfanyl]-5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[3-(4-methoxyphenoxy)propylthio]-4-phenyl-5-(tosylmethyl)-1,2,4-triazole Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C3=CC=CC=C3)SCCCOC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C3=CC=CC=C3)SCCCOC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H27N3O4S2/c1-20-9-15-24(16-10-20)35(30,31)19-25-27-28-26(29(25)21-7-4-3-5-8-21)34-18-6-17-33-23-13-11-22(32-2)12-14-23/h3-5,7-16H,6,17-19H2,1-2H3