3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazole Formula: C22H20BrN3O2S2 MolecularWeight: 502.4471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=CS4

InChI

InChI=1S/C22H20BrN3O2S2/c1-15-5-10-19(27-2)18(14-15)26-21(20-4-3-12-29-20)24-25-22(26)30-13-11-28-17-8-6-16(23)7-9-17/h3-10,12,14H,11,13H2,1-2H3